A0A087XCL8_POEFO Loading...

ETAA1 activator of ATR kinase

AlphaFold DB , UniProt , Accession A0A087XCL8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 612 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37Very low39.5Very low245 Ų245130.6 Ų130.6100%1.20787%0.873SS**  0163.40-71.6169.669.600107.8
2S39Very low40.7Very low117 Ų117126.7 Ų126.782%0.81885%0.848SS**  trans-71.7165.3-163.4-45.10000115.2
3E42.1Very low41.8Very low183 Ų183124.6 Ų124.686%0.85583%0.833SS**  trans-57155.1158.2-57.5-178.4120.600111
4P51Low42.8Very low132 Ų132126.3 Ų126.386%0.85782%0.823SS**  -127.1173.387.738.6-31.8000112
5G31.5Very low43.4Very low70 Ų70127.3 Ų127.372%0.72281%0.809SS**  cis152134.8-0.900000109.2
6A40Very low44.5Very low111 Ų111124.4 Ų124.492%0.91779%0.794SS**  trans-92.7121.2-170.400000112.9
7E33.7Very low45.4Very low198 Ų198122.2 Ų122.293%0.92577%0.771SS**  trans-103.7136163.9-72.9-162.313300111
8A41.3Very low46.6Very low103 Ų103121.6 Ų121.685%0.85176%0.761SS**  trans-99.2112.6175.700000110.3
9A36.5Very low47.1Very low105 Ų105123.5 Ų123.587%0.86875%0.752SS**PPolyproline II helixtrans-81.9119.7170.700000110.2
10A42.2Very low48.1Very low100 Ų100124.1 Ų124.183%0.82674%0.74SS**PPolyproline II helixtrans-75.6137.9-178.400000112.5
11G40.2Very low48.7Very low73 Ų73124.7 Ų124.775%0.75373%0.733SS**PPolyproline II helixtrans-66.3151.4169.400000112.3
12S53.7Low49.6Very low83 Ų83117.8 Ų117.858%0.5870%0.7SS**PPolyproline II helixtrans-68147.7-171.257.50000113.8E14S12-E14 VanDerWaalsContact C-N 3.32Å; S12-E14 PolarHBondContact O-N 3.43Å
13P54.8Low50.4Low100 Ų100115.7 Ų115.765%0.64969%0.686SS**THydrogen-bonded Turntrans-73.1-18-17328.6-36000114.7F15 S16 E17P13-F15 PolarHBondContact O-N 3.08Å; P13-S16 PolarHBondContact O-N 2.97Å; P13-E17 PolarHBondContact O-N 3.44Å
14E55.8Low51Low148 Ų148113.4 Ų113.469%0.69268%0.675SS**Hα-helixtrans-65.8-34-169.7-60.8-175.4125.400113.7S12 S16 E17 L18S12-E14 VanDerWaalsContact C-N 3.32Å; S12-E14 PolarHBondContact O-N 3.43Å; E14-S16 VanDerWaalsContact C-N 3.3Å; E14-S16 PolarHBondContact O-N 2.89Å; E14-E17 WeakPolarHBondContact O-CB 3.36Å; E14-E17 PolarHBondContact O-N 3.27Å; E14-L18 PolarHBondContact O-N 2.77Å
15F51.8Low51Low141 Ų141112.4 Ų112.462%0.61867%0.666SS**Hα-helixtrans-63.8-38.1178.3-167.6-102.5000111.7P13 E17 L18 W19P13-F15 PolarHBondContact O-N 3.08Å; F15-E17 VanDerWaalsContact C-N 3.3Å; F15-E17 PolarHBondContact O-N 3.47Å; F15-L18 PolarHBondContact O-N 3.37Å; F15-W19 AromaticContact CD1-CD1 3.89Å; F15-W19 AromaticContact CE1-CD1 3.6Å; F15-W19 AromaticContact CE1-NE1 3.34Å; F15-W19 VanDerWaalsContact CE1-NE1 3.34Å; F15-W19 AromaticContact CE2-NE1 3.9Å; F15-W19 AromaticContact CZ-CD1 3.92Å; F15-W19 AromaticContact CZ-NE1 3.25Å; F15-W19 PolarHBondContact O-N 3.37Å
16S60.6Low51.8Low81 Ų81114 Ų11457%0.56666%0.658SS**Hα-helixtrans-70.3-23.6177-59.50000113.2P13 E14 R20P13-S16 PolarHBondContact O-N 2.97Å; E14-S16 VanDerWaalsContact C-N 3.3Å; E14-S16 PolarHBondContact O-N 2.89Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.28Å
17E59.8Low52Low87 Ų87117.8 Ų117.841%0.40765%0.649SS.*Hα-helixtrans-74-41.2173-64.4-104.7112.600111.7P13 E14 F15 R20 K21P13-E17 PolarHBondContact O-N 3.44Å; E14-E17 WeakPolarHBondContact O-CB 3.36Å; E14-E17 PolarHBondContact O-N 3.27Å; F15-E17 VanDerWaalsContact C-N 3.3Å; F15-E17 PolarHBondContact O-N 3.47Å; E17-R20 PolarHBondContact O-N 2.79Å; E17-R20 IonicContact OE1-CZ 3.67Å; E17-R20 IonicContact OE1-NH1 3.69Å; E17-R20 PolarHBondContact OE1-NH1 3.09Å; E17-R20 IonicContact OE1-NH2 2.71Å; E17-R20 PolarHBondContact OE1-NH2 3.41Å; E17-R20 IonicContact OE2-NH2 3.85Å; E17-K21 PolarHBondContact O-N 3.43Å; E17-K21 VanDerWaalsContact O-N 3.13Å
18L67.4Low52.6Low112 Ų112110.7 Ų110.759%0.58663%0.629SS**Hα-helixtrans-62.7-48.4-177.3-137.476.9000111.4E14 F15 R20 K21 I22E14-L18 PolarHBondContact O-N 2.77Å; F15-L18 PolarHBondContact O-N 3.37Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.26Å; L18-K21 PolarHBondContact O-N 3.22Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 2.9Å
19W56Low52.9Low157 Ų157114.8 Ų114.860%0.59563%0.627SS**Hα-helixtrans-64.7-32.5176.9-78.7101.7000113.3F15 I22 S23F15-W19 AromaticContact CD1-CD1 3.89Å; F15-W19 AromaticContact CE1-CD1 3.6Å; F15-W19 AromaticContact CE1-NE1 3.34Å; F15-W19 VanDerWaalsContact CE1-NE1 3.34Å; F15-W19 AromaticContact CE2-NE1 3.9Å; F15-W19 AromaticContact CZ-CD1 3.92Å; F15-W19 AromaticContact CZ-NE1 3.25Å; F15-W19 PolarHBondContact O-N 3.37Å; W19-I22 PolarHBondContact O-N 3.03Å; W19-S23 WeakPolarHBondContact O-CB 3.48Å; W19-S23 PolarHBondContact O-N 3.18Å; W19-S23 VanDerWaalsContact O-N 3.09Å
20R66.6Low53.3Low135 Ų135119.8 Ų119.851%0.50962%0.624SS.*Hα-helixtrans-64.3-49175.9-165.2169.675.4-112.86.3111.2S16 E17 L18 I22 S23 E24S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.28Å; E17-R20 PolarHBondContact O-N 2.79Å; E17-R20 IonicContact OE1-CZ 3.67Å; E17-R20 IonicContact OE1-NH1 3.69Å; E17-R20 PolarHBondContact OE1-NH1 3.09Å; E17-R20 IonicContact OE1-NH2 2.71Å; E17-R20 PolarHBondContact OE1-NH2 3.41Å; E17-R20 IonicContact OE2-NH2 3.85Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.26Å; R20-I22 VanDerWaalsContact C-N 3.33Å; R20-I22 PolarHBondContact O-N 3.42Å; R20-S23 PolarHBondContact O-N 3.48Å; R20-E24 WeakPolarHBondContact O-CB 3.06Å; R20-E24 PolarHBondContact O-N 3.19Å; R20-E24 VanDerWaalsContact O-N 3.09Å
21K61.7Low53.4Low138 Ų138122.7 Ų122.760%0.662%0.62SS**Hα-helixtrans-58.8-40.4175.9-81.4177.5174.6167.70112.9E17 L18 E24 V25E17-K21 PolarHBondContact O-N 3.43Å; E17-K21 VanDerWaalsContact O-N 3.13Å; L18-K21 PolarHBondContact O-N 3.22Å; K21-E24 PolarHBondContact O-N 3.34Å; K21-V25 WeakPolarHBondContact O-CG2 3.32Å; K21-V25 PolarHBondContact O-N 3.35Å
22I56.8Low53.6Low99 Ų99123.6 Ų123.651%0.50862%0.621SS.*Hα-helixtrans-65.5-42.5178.7-66.7165.5000111.2L18 W19 R20 E24 V25L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 2.9Å; W19-I22 PolarHBondContact O-N 3.03Å; R20-I22 VanDerWaalsContact C-N 3.33Å; R20-I22 PolarHBondContact O-N 3.42Å; I22-E24 VanDerWaalsContact C-N 3.32Å; I22-E24 PolarHBondContact O-N 3.35Å; I22-V25 PolarHBondContact O-N 2.88Å
23S54.8Low53.3Low73 Ų73130.9 Ų130.951%0.5164%0.636SS.*Hα-helixtrans-68.3-30.6179.3-159.30000113.2W19 R20W19-S23 WeakPolarHBondContact O-CB 3.48Å; W19-S23 PolarHBondContact O-N 3.18Å; W19-S23 VanDerWaalsContact O-N 3.09Å; R20-S23 PolarHBondContact O-N 3.48Å
24E54.2Low52.8Low135 Ų135137.6 Ų137.663%0.63165%0.648SS**Hα-helixtrans-72.5-35.4179.7-157.7149.2-128.800112.3R20 K21 I22 R27 G28R20-E24 WeakPolarHBondContact O-CB 3.06Å; R20-E24 PolarHBondContact O-N 3.19Å; R20-E24 VanDerWaalsContact O-N 3.09Å; K21-E24 PolarHBondContact O-N 3.34Å; I22-E24 VanDerWaalsContact C-N 3.32Å; I22-E24 PolarHBondContact O-N 3.35Å; E24-R27 PolarHBondContact O-N 3.49Å; E24-G28 PolarHBondContact O-N 3.41Å
25V52.7Low51.6Low112 Ų112134.3 Ų134.368%0.67965%0.654SS**Hα-helixtrans-63.8-40.5176.51690000112.8K21 I22 G28K21-V25 WeakPolarHBondContact O-CG2 3.32Å; K21-V25 PolarHBondContact O-N 3.35Å; I22-V25 PolarHBondContact O-N 2.88Å; V25-G28 PolarHBondContact O-N 2.89Å
26D46.4Very low50.7Low103 Ų103131.5 Ų131.555%0.55167%0.665SS**Hα-helixtrans-73.5-31.5-179.4-166.855.5000112.6G28 K29D26-G28 VanDerWaalsContact C-N 3.33Å; D26-G28 PolarHBondContact O-N 3.28Å; D26-K29 PolarHBondContact O-N 2.96Å
27R46.1Very low49.5Very low190 Ų190136.3 Ų136.372%0.71768%0.678SS**Hα-helixtrans-62.7-38.7173.5-75.5-173.4170.8-134.8-2.4112.4E24 K29 R30E24-R27 PolarHBondContact O-N 3.49Å; R27-K29 VanDerWaalsContact C-N 3.25Å; R27-K29 PolarHBondContact O-N 3.28Å; R27-R30 PolarHBondContact O-N 2.92Å
28G46.1Very low48Very low49 Ų49141.2 Ų141.251%0.50570%0.701SS.*Hα-helixtrans-56.6-35.2179.500000113.9E24 V25 D26 R30E24-G28 PolarHBondContact O-N 3.41Å; V25-G28 PolarHBondContact O-N 2.89Å; D26-G28 VanDerWaalsContact C-N 3.33Å; D26-G28 PolarHBondContact O-N 3.28Å; G28-R30 VanDerWaalsContact C-N 3.33Å; G28-R30 PolarHBondContact O-N 3.26Å
29K47.9Very low46.6Very low189 Ų189142.1 Ų142.182%0.82271%0.711SS**Hα-helixtrans-77.1-9.6-178.3-99.3175.2178.7170.10115.4D26 R27D26-K29 PolarHBondContact O-N 2.96Å; R27-K29 VanDerWaalsContact C-N 3.25Å; R27-K29 PolarHBondContact O-N 3.28Å
30R43.1Very low45.9Very low210 Ų210140.8 Ų140.879%0.79272%0.722SS**Hα-helixtrans-103.2-15.8178.9-66.4-168.2-177.4-152.71.3115.1R27 G28R27-R30 PolarHBondContact O-N 2.92Å; G28-R30 VanDerWaalsContact C-N 3.33Å; G28-R30 PolarHBondContact O-N 3.26Å
31Q45.7Very low44.2Very low161 Ų161138.4 Ų138.475%0.75273%0.732SS**Hα-helixtrans-88.8-18.1179.2-78-173.4-32.800114.8R33Q31-R33 PolarHBondContact O-N 3.12Å
32A43.2Very low42.7Very low93 Ų93138.6 Ų138.677%0.76975%0.745SS**THydrogen-bonded Turntrans-66.417.5179.700000115.8
33R48.3Very low41.3Very low235 Ų235138 Ų13889%0.88776%0.755SS**THydrogen-bonded Turntrans-149.628.8-179.3-133.4179.5-167.8-141.11.2116.6Q31Q31-R33 PolarHBondContact O-N 3.12Å
34R44.3Very low40.1Very low241 Ų241141.1 Ų141.191%0.90977%0.771SS**  trans-157.6142.1163-108.1162.8-154-96.21.6112.6
35G29.9Very low38.9Very low80 Ų80139.6 Ų139.683%0.82578%0.775SS**  trans99.6123.2-164.600000109.4
36G33Very low38.6Very low81 Ų81140.3 Ų140.384%0.83578%0.782SS**  cis101.6138.516.600000109.8
37Q35Very low37.8Very low182 Ų182139 Ų13985%0.8579%0.793SS**  cis-168.4138.29.2167.5-16681.500108.5
38Q30.1Very low37Very low190 Ų190135.9 Ų135.989%0.88880%0.799SS**  trans-172.2151151.1-112.515387.200113.8
39V36.2Very low36.4Very low131 Ų131140.6 Ų140.679%0.79481%0.812SS**  trans-109.1154.5160.8-73.80000108
40P42.9Very low35.6Very low129 Ų129137.9 Ų137.984%0.83881%0.807SS**  -135.9169.3102.537.9-28.8000113.2
41A30.3Very low35.5Very low86 Ų86134.6 Ų134.671%0.71180%0.804SS**  trans-98.9151.5172.400000111.2
42T30.1Very low34.9Very low141 Ų141135.3 Ų135.387%0.86581%0.808SS**  178.5150.9121.726.60000114.3
43A27.8Very low34.5Very low88 Ų88135.6 Ų135.673%0.72780%0.804SS**  trans73.8142.9144.700000123.6
44T29.9Very low34Very low138 Ų138130.9 Ų130.985%0.84780%0.804SS**  trans83.9108.3148.7-49.50000120.1
45S29Very low33.5Very low103 Ų103130.1 Ų130.172%0.7280%0.801SS**  trans-89.3161.515367.50000110.3
46P45.2Very low33.7Very low126 Ų126133.4 Ų133.482%0.81880%0.799SS**  -130.3177.667.115.18.5000112.7
47G28.9Very low33.7Very low75 Ų75139.9 Ų139.977%0.77380%0.798SS**  cis126.2107.2-100000112.8
48C30.9Very low33.6Very low126 Ų126134.8 Ų134.885%0.85180%0.795SS**  trans-155.3157.1161.3-160.30000109.8
49N33.5Very low33.7Very low147 Ų147130.8 Ų130.879%0.78679%0.788SS**  trans-101.3-175.5-174-43.2-59.2000109.6
50D30.8Very low33.4Very low132 Ų132130.3 Ų130.371%0.70679%0.79SS**  cis-160.9169.16-152.8-22.2000109.8
51L40.4Very low33Very low141 Ų141130 Ų13074%0.73879%0.791SS**  trans63.2144.8167.9-48.5179.6000116.1
52Q33.6Very low33Very low177 Ų177130.6 Ų130.683%0.82779%0.79SS**  cis-146.6153.4-1.6-127.8173.419.400108.2
53S34Very low33.2Very low99 Ų99135.2 Ų135.269%0.69279%0.791SS**  trans-96.8155.4175.5-71.10000112
54P39Very low33.5Very low136 Ų136141 Ų14188%0.88380%0.801SS**  -131.8141.195.733.5-23.1000113.7
55R32.6Very low33.7Very low224 Ų224142.8 Ų142.885%0.84580%0.804SS**  trans-86.4150.2173.1-61.5177.8177.9-172.4-1.8110.1
56L35.1Very low33.7Very low149 Ų149141.5 Ų141.578%0.7881%0.807SS**  -165.8108.6117.9-104.3168.1000113.8
57R33Very low33.2Very low217 Ų217141 Ų14182%0.81981%0.807SS**  trans60.264.9140.2-155.9-174.1-58.8-90.81.4118.9
58G32.3Very low33.6Very low76 Ų76145 Ų14578%0.78481%0.811SS**  trans-92.7127.8144.200000109.9
59S32.2Very low34Very low106 Ų106145.3 Ų145.374%0.74181%0.808SS**  trans-154.196.9176-67.30000112.8
60S29.8Very low34.6Very low120 Ų120145.1 Ų145.184%0.83981%0.813SS**  trans27113.9141.8-50.40000120.7
61S33.5Very low34.9Very low123 Ų123147.4 Ų147.486%0.8682%0.819SS**  25.3116.7127.9-169.20000119.4
62S32.2Very low34.9Very low98 Ų98145.8 Ų145.869%0.68582%0.82SS**  166.2115.5116.6-177.50000113.1
63R33.2Very low35.4Very low238 Ų238143.9 Ų143.990%0.89882%0.823SS**  171.3123121.3-94.8176-69.6-179.91.3111.2
64F34.6Very low35.6Very low209 Ų209141.4 Ų141.492%0.91781%0.813SS**  trans-86134157.5-94.5-95.8000108.7
65L34.2Very low35.9Very low177 Ų177142 Ų14293%0.92781%0.809SS**  trans-173.7118.7147.1-109.3157.7000112.1
66G29Very low36.6Very low76 Ų76137.7 Ų137.778%0.78481%0.806SS**  trans66.1103.4145.300000120.5
67S33.3Very low37.1Very low116 Ų116137.4 Ų137.481%0.81180%0.801SS**  -155.6147.9121.2-165.60000109.9
68N38.5Very low38.1Very low159 Ų159130.7 Ų130.785%0.8579%0.792SS**  trans-98.6132.6-179.8-57.3-45.4000109.9
69V38.2Very low39.3Very low131 Ų131132.2 Ų132.279%0.79479%0.791SS**  trans-132.8127.9159-179.70000107.9
70T47.8Very low40.2Very low144 Ų144135.1 Ų135.188%0.88379%0.793SS**  trans-76.6117.9171.6460000109.7
71E35.9Very low41.6Very low179 Ų179135.1 Ų135.184%0.83678%0.783SS**  trans-134132.3166.7-168.3157.6-151.900109
72S41.1Very low43.3Very low108 Ų108134.9 Ų134.976%0.75577%0.771SS**  trans-67.9140.2-172.9-72.20000111.2G74S72-G74 PolarHBondContact O-N 3.05Å
73P44.2Very low44.7Very low137 Ų137138.8 Ų138.889%0.8978%0.776SS**  trans-70.876.9160.531.9-32.8000108.2
74G37Very low46.4Very low47 Ų47137.1 Ų137.149%0.48577%0.77SS.*  trans-61.2158.3176.100000111.4S72 V76S72-G74 PolarHBondContact O-N 3.05Å; G74-V76 PolarHBondContact O-N 2.83Å
75D46.3Very low47.6Very low149 Ų149131.1 Ų131.180%0.79775%0.748SS**  trans-39.5108171.8-174.814.3000113E77D75-E77 PolarHBondContact OD1-N 3.17Å
76V47.3Very low48.8Very low132 Ų132126.9 Ų126.980%0.875%0.747SS**  trans-112.567.6160.6-171.30000106.8G74 A78G74-V76 PolarHBondContact O-N 2.83Å; V76-A78 PolarHBondContact O-N 3.34Å
77E46.1Very low50.2Low143 Ų143128.9 Ų128.967%0.66874%0.744SS**  trans-46.2115.4149.9-179.7166.6-125.300107.1D75 S79D75-E77 PolarHBondContact OD1-N 3.17Å; E77-S79 PolarHBondContact O-N 2.62Å
78A53.8Low50.9Low77 Ų77125.6 Ų125.664%0.63672%0.721SS**  trans-66.5105.3-178.600000107.4V76 Q80V76-A78 PolarHBondContact O-N 3.34Å; A78-Q80 PolarHBondContact O-N 2.83Å
79S56.9Low51Low108 Ų108124.2 Ų124.276%0.75572%0.72SS**  trans-43108.8179.1-60.30000109.4E77 D81E77-S79 PolarHBondContact O-N 2.62Å; S79-D81 PolarHBondContact O-N 3.34Å
80Q51.6Low51.6Low167 Ų167123.9 Ų123.978%0.7872%0.719SS**  trans-73.678.1173.2-70.2176.863.300106.3A78 I82A78-Q80 PolarHBondContact O-N 2.83Å; Q80-I82 PolarHBondContact O-N 3.38Å
81D59.3Low51.6Low119 Ų119124.9 Ų124.964%0.63671%0.713SS**  trans-59.4102.9176.3-124.5-9000106.3S79 F83S79-D81 PolarHBondContact O-N 3.34Å; D81-F83 HydrophobicContact CB-CD2 4.34Å; D81-F83 HydrophobicContact CB-CE2 3.91Å; D81-F83 HydrophobicContact CB-CZ 4.26Å; D81-F83 WeakPolarHBondContact O-CD2 3.2Å; D81-F83 PolarHBondContact O-N 3.25Å
82I69Low52.1Low118 Ų118123.3 Ų123.361%0.60572%0.716SS**  trans-70.990.5177.1-61.4176.2000105.4Q80 W84Q80-I82 PolarHBondContact O-N 3.38Å; I82-W84 HydrophobicContact CG2-CD2 4.13Å; I82-W84 HydrophobicContact CG2-CG 4.43Å; I82-W84 HydrophobicContact CG2-CZ2 4Å; I82-W84 PolarHBondContact O-N 2.89Å
83F62.2Low52Low181 Ų181120.2 Ų120.279%0.79470%0.701SS**  trans-64.183.2170.5-72.1-80.8000108.7D81 D85D81-F83 HydrophobicContact CB-CD2 4.34Å; D81-F83 HydrophobicContact CB-CE2 3.91Å; D81-F83 HydrophobicContact CB-CZ 4.26Å; D81-F83 WeakPolarHBondContact O-CD2 3.2Å; D81-F83 PolarHBondContact O-N 3.25Å; F83-D85 PolarHBondContact O-N 2.9Å
84W68.1Low52.4Low202 Ų202122.2 Ų122.277%0.76570%0.699SS**  trans-53.7120.1166-64.197.5000108.1I82I82-W84 HydrophobicContact CG2-CD2 4.13Å; I82-W84 HydrophobicContact CG2-CG 4.43Å; I82-W84 HydrophobicContact CG2-CZ2 4Å; I82-W84 PolarHBondContact O-N 2.89Å
85D58.9Low52.6Low84 Ų84122.8 Ų122.845%0.44971%0.705SS.*  trans-69153.1179.570-21.3000110.5F83 T87 S88F83-D85 PolarHBondContact O-N 2.9Å; D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 PolarHBondContact O-N 3.45Å; D85-T87 WeakPolarHBondContact OD2-CB 3.25Å; D85-T87 PolarHBondContact OD2-OG1 3.36Å; D85-S88 PolarHBondContact O-N 2.98Å; D85-S88 WeakPolarHBondContact OD1-CA 3.4Å; D85-S88 WeakPolarHBondContact OD1-CB 3.1Å; D85-S88 PolarHBondContact OD1-N 3.28Å; D85-S88 PolarHBondContact OD1-OG 2.83Å
86G60.5Low52.7Low88 Ų88124.7 Ų124.791%0.90770%0.702SS**THydrogen-bonded Turntrans-67.20.9174.300000114
87T58.1Low52.6Low118 Ų118127.9 Ų127.972%0.72471%0.705SS**THydrogen-bonded Turntrans-110.7-6.9-175.323.90000113.9D85D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 PolarHBondContact O-N 3.45Å; D85-T87 WeakPolarHBondContact OD2-CB 3.25Å; D85-T87 PolarHBondContact OD2-OG1 3.36Å
88S47.5Very low52.7Low47 Ų47126.2 Ų126.233%0.32970%0.701SS.*SBendtrans-54133.1167.7-78.90000111.1D85 T90D85-S88 PolarHBondContact O-N 2.98Å; D85-S88 WeakPolarHBondContact OD1-CA 3.4Å; D85-S88 WeakPolarHBondContact OD1-CB 3.1Å; D85-S88 PolarHBondContact OD1-N 3.28Å; D85-S88 PolarHBondContact OD1-OG 2.83Å; S88-T90 PolarHBondContact O-N 3.23Å
89P42.3Very low52.8Low129 Ų129129.8 Ų129.884%0.83872%0.715SS**  trans-57.5108.6-173.9-27.735.8000112.8H91P89-H91 PolarHBondContact O-N 2.89Å
90T50.3Low53.2Low124 Ų124134.7 Ų134.776%0.76172%0.717SS**  trans-64.6110.3175.9-62.60000108.5S88 T92S88-T90 PolarHBondContact O-N 3.23Å; T90-T92 PolarHBondContact O-N 3.24Å
91H46.5Very low53.6Low166 Ų166131.4 Ų131.477%0.76972%0.718SS**  trans-60.3106-179175.3-91.1000110.5P89 G93P89-H91 PolarHBondContact O-N 2.89Å; H91-G93 PolarHBondContact ND1-N 3.44Å; H91-G93 PolarHBondContact O-N 2.85Å
92T46.4Very low54.5Low145 Ų145129 Ų12989%0.8971%0.708SS**  trans-73.831.8-177.142.50000113.8T90 Q94T90-T92 PolarHBondContact O-N 3.24Å; T92-Q94 PolarHBondContact O-N 2.84Å
93G40.5Very low55.2Low44 Ų44130.9 Ų130.945%0.45471%0.712SS.*  trans-75.7113.3164.300000110.3H91 G95H91-G93 PolarHBondContact ND1-N 3.44Å; H91-G93 PolarHBondContact O-N 2.85Å; G93-G95 PolarHBondContact O-N 3.4Å
94Q51.1Low56Low178 Ų178128.6 Ų128.683%0.83271%0.707SS**  trans-71.167179.2-166.4173.34.200112.1T92T92-Q94 PolarHBondContact O-N 2.84Å
95G42.6Very low56.6Low60 Ų60122.8 Ų122.862%0.61970%0.697SS**  trans-94.3108.5179.700000111.9G93 K97G93-G95 PolarHBondContact O-N 3.4Å; G95-K97 PolarHBondContact O-N 3.49Å
96Y47.7Very low57.8Low188 Ų188122.8 Ų122.874%0.73770%0.697SS**  trans-55.1125.8171.7-77.2-98.5000110.7N98Y96-N98 PolarHBondContact O-N 3.04Å
97K46.3Very low58.9Low199 Ų199122.3 Ų122.387%0.86567%0.673SS**  trans-71.771.8178.8-55.3-174.6-173.3-174.90110G95 T99G95-K97 PolarHBondContact O-N 3.49Å; K97-T99 PolarHBondContact O-N 2.99Å; K97-T99 PolarHBondContact O-OG1 3.15Å
98N48Very low60.2Low109 Ų109120.5 Ų120.558%0.58366%0.661SS**  trans-77.284-172.9-72.7-30.6000111Y96 R100Y96-N98 PolarHBondContact O-N 3.04Å; N98-R100 PolarHBondContact O-N 3.43Å
99T55.7Low61.8Low151 Ų151122.1 Ų122.193%0.92667%0.666SS**  trans-69.432.9172.7-27.90000113.1K97K97-T99 PolarHBondContact O-N 2.99Å; K97-T99 PolarHBondContact O-OG1 3.15Å
100R64.9Low63.7Low211 Ų211125 Ų12580%0.79666%0.66SS**SBendtrans-103.9132.2177.4-173.6-176.5-170.2-158.85.2108.1N98 V102N98-R100 PolarHBondContact O-N 3.43Å; R100-V102 WeakPolarHBondContact O-CG2 3.44Å; R100-V102 PolarHBondContact O-N 2.98Å
101A59.7Low65.1Low98 Ų98125.2 Ų125.281%0.8166%0.656SS**  trans-53.3110.3174.700000110.7
102V77.6Confident66.6Low70 Ų70121.2 Ų121.242%0.42464%0.643SS.*  trans-79.9123.1-178.3-173.80000107.9R100 D106 I107R100-V102 WeakPolarHBondContact O-CG2 3.44Å; R100-V102 PolarHBondContact O-N 2.98Å; V102-D106 HydrophobicContact CG1-CB 3.65Å; V102-I107 HydrophobicContact CB-CG1 4.35Å; V102-I107 HydrophobicContact CG1-CD1 4.36Å; V102-I107 HydrophobicContact CG1-CG1 3.66Å
103K83.7Confident67.2Low156 Ų156120.1 Ų120.168%0.67864%0.638SS**  trans-68.5147176.8-70.4-173.9176.3-174.90109.4S105 D106 I107K103-S105 PolarHBondContact O-N 3.27Å; K103-S105 VanDerWaalsContact O-N 3.09Å; K103-D106 WeakPolarHBondContact O-CB 3.47Å; K103-D106 PolarHBondContact O-N 3.12Å; K103-I107 PolarHBondContact O-N 3.2Å
104I80.1Confident68.6Low134 Ų134124 Ų12469%0.68764%0.643SS**Hα-helixtrans-53.3-37.4180-60.3173.5000110.9D106 I107 V108I104-D106 VanDerWaalsContact C-N 3.31Å; I104-D106 PolarHBondContact O-N 2.89Å; I104-I107 WeakPolarHBondContact O-CB 3.28Å; I104-I107 PolarHBondContact O-N 3.01Å; I104-I107 VanDerWaalsContact O-N 3.09Å; I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.47Å; I104-V108 PolarHBondContact O-N 3.41Å
105S81.1Confident68.9Low80 Ų80123.2 Ų123.256%0.55964%0.644SS**Hα-helixtrans-56.6-37173.8-44.30000114K103 N109K103-S105 PolarHBondContact O-N 3.27Å; K103-S105 VanDerWaalsContact O-N 3.09Å; S105-N109 WeakPolarHBondContact O-CB 3.45Å; S105-N109 VanDerWaalsContact O-CG 3.23Å; S105-N109 PolarHBondContact O-N 3.26Å; S105-N109 PolarHBondContact O-ND2 3.03Å
106D83.4Confident69.6Low84 Ų84125.3 Ų125.345%0.44964%0.64SS.*Hα-helixtrans-74-30.3177.1-65.2-41.3000111.8V102 K103 I104 R110V102-D106 HydrophobicContact CG1-CB 3.65Å; K103-D106 WeakPolarHBondContact O-CB 3.47Å; K103-D106 PolarHBondContact O-N 3.12Å; I104-D106 VanDerWaalsContact C-N 3.31Å; I104-D106 PolarHBondContact O-N 2.89Å; D106-R110 VanDerWaalsContact O-CG 3.27Å; D106-R110 WeakPolarHBondContact O-CG 3.47Å; D106-R110 PolarHBondContact O-N 2.91Å; D106-R110 VanDerWaalsContact O-N 3.09Å
107I84.1Confident70Confident78 Ų78126 Ų12640%0.465%0.647SS.*Hα-helixtrans-71.2-49.2174.3-55.6178.2000109.8V102 K103 I104 N109 R110 I111V102-I107 HydrophobicContact CB-CG1 4.35Å; V102-I107 HydrophobicContact CG1-CD1 4.36Å; V102-I107 HydrophobicContact CG1-CG1 3.66Å; K103-I107 PolarHBondContact O-N 3.2Å; I104-I107 WeakPolarHBondContact O-CB 3.28Å; I104-I107 PolarHBondContact O-N 3.01Å; I104-I107 VanDerWaalsContact O-N 3.09Å; I107-N109 VanDerWaalsContact C-N 3.31Å; I107-N109 PolarHBondContact O-N 3.06Å; I107-R110 WeakPolarHBondContact O-CA 3.02Å; I107-R110 WeakPolarHBondContact O-CB 3.28Å; I107-R110 PolarHBondContact O-N 3.36Å; I107-I111 HydrophobicContact CG2-CD1 3.76Å; I107-I111 HydrophobicContact CG2-CG1 4.49Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 2.75Å
108V84.1Confident70Confident79 Ų79127.2 Ų127.248%0.47965%0.646SS.*Hα-helixtrans-56.3-47.4173.61730000110.2I104 R110 I111 V112I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.47Å; I104-V108 PolarHBondContact O-N 3.41Å; V108-R110 PolarHBondContact O-N 3.44Å; V108-R110 VanDerWaalsContact O-N 3.15Å; V108-I111 PolarHBondContact O-N 3.43Å; V108-I111 VanDerWaalsContact O-N 3.16Å; V108-V112 HydrophobicContact CG1-CG2 4.21Å; V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.19Å
109N82.9Confident70Confident82 Ų82131.2 Ų131.244%0.43966%0.658SS.*Hα-helixtrans-64.6-13.8175.1-81.3-43000114.6S105 I107 K114S105-N109 WeakPolarHBondContact O-CB 3.45Å; S105-N109 VanDerWaalsContact O-CG 3.23Å; S105-N109 PolarHBondContact O-N 3.26Å; S105-N109 PolarHBondContact O-ND2 3.03Å; I107-N109 VanDerWaalsContact C-N 3.31Å; I107-N109 PolarHBondContact O-N 3.06Å; N109-K114 WeakPolarHBondContact O-CE 3.32Å; N109-K114 PolarHBondContact O-NZ 2.89Å
110R82.1Confident69.4Low188 Ų188130.6 Ų130.671%0.70965%0.654SS**Hα-helixtrans-91-32.5171.9-81.3170.3166.8-151.6-5112.7D106 I107 V108D106-R110 VanDerWaalsContact O-CG 3.27Å; D106-R110 WeakPolarHBondContact O-CG 3.47Å; D106-R110 PolarHBondContact O-N 2.91Å; D106-R110 VanDerWaalsContact O-N 3.09Å; I107-R110 WeakPolarHBondContact O-CA 3.02Å; I107-R110 WeakPolarHBondContact O-CB 3.28Å; I107-R110 PolarHBondContact O-N 3.36Å; V108-R110 PolarHBondContact O-N 3.44Å; V108-R110 VanDerWaalsContact O-N 3.15Å
111I77.9Confident68.4Low130 Ų130126.1 Ų126.167%0.66765%0.65SS**Hα-helixtrans-84.4-33.3-176.2-64.1171.2000111.5I107 V108 P113I107-I111 HydrophobicContact CG2-CD1 3.76Å; I107-I111 HydrophobicContact CG2-CG1 4.49Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 2.75Å; V108-I111 PolarHBondContact O-N 3.43Å; V108-I111 VanDerWaalsContact O-N 3.16Å; I111-P113 WeakPolarHBondContact O-CD 3.19Å
112V79.8Confident67.8Low82 Ų82128.6 Ų128.650%0.49765%0.645SS.*SBendtrans-58.6122172170.60000109.5V108 K114V108-V112 HydrophobicContact CG1-CG2 4.21Å; V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.19Å; V112-K114 PolarHBondContact O-N 3.4Å
113P59Low66.5Low122 Ų122129.8 Ų129.879%0.79266%0.657SS**  trans-62.297.6-176.9-26.236.3000112.8I111 N115I111-P113 WeakPolarHBondContact O-CD 3.19Å; P113-N115 PolarHBondContact O-N 2.86Å
114K69.5Low65Low126 Ų126128.1 Ų128.155%0.54866%0.664SS.*  trans-73.8110.1174.8-56.3-157.1-169.1-165.80109.5N109 V112 I116N109-K114 WeakPolarHBondContact O-CE 3.32Å; N109-K114 PolarHBondContact O-NZ 2.89Å; V112-K114 PolarHBondContact O-N 3.4Å; K114-I116 HydrophobicContact CB-CD1 3.84Å; K114-I116 HydrophobicContact CB-CG1 4.02Å; K114-I116 HydrophobicContact CD-CD1 3.99Å; K114-I116 PolarHBondContact O-N 2.79Å
115N56Low63.7Low160 Ų160128 Ų12886%0.85666%0.664SS**  trans-68.238.4175.956.2-16.8000114P113 K117P113-N115 PolarHBondContact O-N 2.86Å; N115-K117 PolarHBondContact O-N 3.18Å
116I58.2Low62.5Low105 Ų105127.6 Ų127.654%0.53866%0.656SS.*  trans-85.599.2-179-61169.9000108.8K114 R118K114-I116 HydrophobicContact CB-CD1 3.84Å; K114-I116 HydrophobicContact CB-CG1 4.02Å; K114-I116 HydrophobicContact CD-CD1 3.99Å; K114-I116 PolarHBondContact O-N 2.79Å; I116-R118 HydrophobicContact CG2-CG 4.37Å; I116-R118 PolarHBondContact O-N 2.87Å
117K55.8Low61Low203 Ų203131.9 Ų131.988%0.88367%0.673SS**  trans-64.297.6169.7-64.9-178.1179.3-177.80109.9N115N115-K117 PolarHBondContact O-N 3.18Å
118R47.2Very low59.4Low224 Ų224139.1 Ų139.185%0.84570%0.695SS**  trans-77.8132.6166.9-70-168.3175.4100.9-3109.6I116I116-R118 HydrophobicContact CG2-CG 4.37Å; I116-R118 PolarHBondContact O-N 2.87Å
119K48Very low58.1Low192 Ų192141.4 Ų141.484%0.83570%0.703SS**  trans-101.9160164.4-61.9-176.8175.3-173.90108.4
120V42.8Very low56.7Low138 Ų138145 Ų14584%0.83672%0.723SS**  trans71.8129.3169.4-174.30000112.7
121T44.5Very low55.3Low118 Ų118143.9 Ų143.972%0.72473%0.731SS**  cis-128.2145.57.2-43.80000111.3S123T121-S123 PolarHBondContact O-N 2.97Å
122E45.9Very low54Low149 Ų149140.6 Ų140.670%0.69673%0.728SS**  trans-76.793.6173.9-64.5-88.7113.100111.1S124 L126E122-S124 PolarHBondContact O-N 3.15Å; E122-L126 HydrophobicContact CB-CD1 4.46Å; E122-L126 WeakPolarHBondContact OE2-CD1 3.38Å; E122-L126 WeakPolarHBondContact OE2-CD2 3.36Å
123S49.9Very low52.9Low96 Ų96141.4 Ų141.467%0.67174%0.744SS**  trans-96.984.8-176.9620000113.2T121 L125T121-S123 PolarHBondContact O-N 2.97Å; S123-L125 PolarHBondContact O-N 3.16Å
124S52.5Low52.4Low120 Ų120142.4 Ų142.484%0.83974%0.741SS**SBendtrans51.72163.1-54.50000120.1E122E122-S124 PolarHBondContact O-N 3.15Å
125L53.6Low51.3Low131 Ų131141.8 Ų141.869%0.68675%0.75SS**  trans-87.5-27.7179.1-155.377.1000112.7S123 H127 W128S123-L125 PolarHBondContact O-N 3.16Å; L125-H127 PolarHBondContact O-N 2.91Å; L125-W128 PolarHBondContact O-N 3.4Å
126L54.8Low50.9Low72 Ų72139.5 Ų139.538%0.37775%0.745SS.*G310 helixtrans-75.1-8-170.9-67.498000114.7E122 W128 I129E122-L126 HydrophobicContact CB-CD1 4.46Å; E122-L126 WeakPolarHBondContact OE2-CD1 3.38Å; E122-L126 WeakPolarHBondContact OE2-CD2 3.36Å; L126-W128 PolarHBondContact O-N 2.96Å; L126-W128 VanDerWaalsContact O-N 3.09Å; L126-I129 PolarHBondContact O-N 2.92Å; L126-I129 VanDerWaalsContact O-N 3.08Å
127H51.8Low50.5Low175 Ų175139.7 Ų139.781%0.8175%0.752SS**G310 helixtrans-62.1-13.3169.1-16954.8000113.3L125L125-H127 PolarHBondContact O-N 2.91Å
128W51.9Low50Low230 Ų230136.3 Ų136.387%0.87175%0.75SS**G310 helixtrans-94.63.7176.2-68.180000114.3L125 L126L125-W128 PolarHBondContact O-N 3.4Å; L126-W128 PolarHBondContact O-N 2.96Å; L126-W128 VanDerWaalsContact O-N 3.09Å
129I57.1Low49.9Very low127 Ų127132 Ų13265%0.65174%0.744SS**THydrogen-bonded Turntrans-120.9-24.4-172-58.7179.9000112.5L126 D131L126-I129 PolarHBondContact O-N 2.92Å; L126-I129 VanDerWaalsContact O-N 3.08Å; I129-D131 PolarHBondContact O-N 3.11Å
130D53.4Low50.2Low158 Ų158128.7 Ų128.785%0.84574%0.739SS**SBendtrans-104.651.9-167.7-148.126.9000114.3
131D51.6Low50.3Low164 Ų164127.8 Ų127.888%0.87774%0.737SS**SBendtrans-154.3147.7150.6-156.9-7.9000110.6I129I129-D131 PolarHBondContact O-N 3.11Å
132G51.9Low50.6Low60 Ų60131.1 Ų131.162%0.61974%0.741SS**SBendtrans87.225.3162.800000120
133A56Low50.8Low99 Ų99133.8 Ų133.882%0.81875%0.754SS**  trans39.993.1153.800000119.7
134I48.2Very low50.7Low143 Ų143140 Ų14073%0.73376%0.762SS**  trans-117110.1159.2-50.4-179.4000110C136I134-C136 VanDerWaalsContact C-N 3.31Å; I134-C136 VanDerWaalsContact CG2-SG 3.52Å; I134-C136 PolarHBondContact O-N 3.36Å
135P47.1Very low50.9Low113 Ų113142.6 Ų142.673%0.73477%0.765SS**  trans-79.274.5179.932.4-34.9000111.8T137P135-T137 PolarHBondContact O-N 2.91Å
136C46.2Very low50.8Low113 Ų113147.6 Ų147.676%0.76478%0.775SS**  trans-74.952.6177-76.10000113.8I134I134-C136 VanDerWaalsContact C-N 3.31Å; I134-C136 VanDerWaalsContact CG2-SG 3.52Å; I134-C136 PolarHBondContact O-N 3.36Å
137T50.3Low51Low109 Ų109154 Ų15467%0.66980%0.799SS**  trans-129.8115.816647.20000109.2P135 D139P135-T137 PolarHBondContact O-N 2.91Å; T137-D139 PolarHBondContact O-N 3.34Å
138P46.4Very low50.7Low131 Ų131157.5 Ų157.585%0.85181%0.806SS**  trans-74.472.6165.332.2-33.7000109.3
139D44.9Very low50.8Low135 Ų135151 Ų15172%0.72280%0.795SS**  trans-63.3138.6168.1-175.526.5000109.5T137 P141T137-D139 PolarHBondContact O-N 3.34Å; D139-P141 WeakPolarHBondContact O-CD 3.32Å
140V53.4Low50.6Low121 Ų121150.8 Ų150.873%0.73381%0.805SS**  trans-72.6111-159-174.10000110.2K142V140-K142 PolarHBondContact O-N 2.94Å
141P44Very low50.9Low120 Ų120153.6 Ų153.678%0.77980%0.803SS**  trans-72.4100.1-172.2-18.733.9000111.4D139 Q143D139-P141 WeakPolarHBondContact O-CD 3.32Å; P141-Q143 PolarHBondContact O-N 3.07Å
142K51.9Low51.3Low188 Ų188154.8 Ų154.882%0.81780%0.804SS**  trans-50.6132.6164.8-63.8177.5-174.9174.60108.7V140 R144V140-K142 PolarHBondContact O-N 2.94Å; K142-R144 PolarHBondContact O-N 3.17Å
143Q50.7Low51.9Low205 Ų205155.4 Ų155.496%0.95880%0.799SS**  trans-49.1105.9-174.1-74.7177.9-39.900112P141P141-Q143 PolarHBondContact O-N 3.07Å
144R48Very low53.1Low226 Ų226155 Ų15585%0.85379%0.79SS**  trans-113.5119.6166.1-77-179.263.997.1-4.5108K142 R146K142-R144 PolarHBondContact O-N 3.17Å; R144-R146 PolarHBondContact O-N 3.01Å
145I56.1Low55.2Low175 Ų175153 Ų15390%0.89778%0.784SS**  trans-53.2111.1179.7-59.4166.1000108.7K147I145-K147 PolarHBondContact O-N 3.21Å
146R50.6Low57.3Low236 Ų236151.6 Ų151.689%0.89177%0.768SS**PPolyproline II helixtrans-70.3124.9176.2-81.4-178.5167172-3.8108.8R144 R148R144-R146 PolarHBondContact O-N 3.01Å; R146-R148 PolarHBondContact O-N 3.08Å
147K59.3Low59.6Low205 Ų205151 Ų15189%0.89176%0.757SS**PPolyproline II helixtrans-59.7128.9165-68.2-173.7174.9-173.70108.1I145 S149I145-K147 PolarHBondContact O-N 3.21Å; K147-S149 PolarHBondContact O-N 2.96Å
148R46.4Very low61.8Low250 Ų250151.7 Ų151.794%0.94376%0.756SS**PPolyproline II helixtrans-57.5135.1176.8-71.7-175.9174.6-176.3-1.8109.5R146R146-R148 PolarHBondContact O-N 3.08Å
149S53.5Low64.1Low92 Ų92149.2 Ų149.264%0.64373%0.734SS**PPolyproline II helixtrans-77122.5173.8-169.70000108.7K147 R151K147-S149 PolarHBondContact O-N 2.96Å; S149-R151 PolarHBondContact O-N 2.75Å
150S53.8Low66.6Low123 Ų123148.3 Ų148.386%0.8672%0.724SS**  trans-78.153.5176.9-174.20000111.7
151R58.8Low68.6Low217 Ų217147.1 Ų147.182%0.81971%0.713SS**  trans-77.1126.1161.8-69.9176.5-178.7-107-1.3106.6S149S149-R151 PolarHBondContact O-N 2.75Å
152Q60Low71.1Confident189 Ų189143.8 Ų143.888%0.88370%0.695SS**  trans-59.8149.5174.3-71.4175.4-50.200109.7S154Q152-S154 PolarHBondContact O-N 3.07Å
153S65.1Low73.1Confident73 Ų73140.1 Ų140.151%0.5168%0.679SS.*  trans-59.8108.4-168.5-176.90000112V155 E156 D157S153-V155 PolarHBondContact O-N 3.19Å; S153-V155 PolarHBondContact OG-N 3.28Å; S153-E156 PolarHBondContact O-N 3.08Å; S153-E156 PolarHBondContact OG-N 2.86Å; S153-D157 PolarHBondContact O-N 3.33Å
154S79.6Confident75.3Confident92 Ų92136.7 Ų136.764%0.64366%0.663SS**Hα-helixtrans-65.4-18.3171.4560000112.4Q152 L158Q152-S154 PolarHBondContact O-N 3.07Å; S154-L158 VanDerWaalsContact O-CB 3.26Å; S154-L158 WeakPolarHBondContact O-CB 3.43Å; S154-L158 PolarHBondContact O-N 3.14Å
155V92.3Very high77.5Confident100 Ų100132.5 Ų132.561%0.60665%0.651SS**Hα-helixtrans-69.9-37.1174.6-1760000111S153 M159S153-V155 PolarHBondContact O-N 3.19Å; S153-V155 PolarHBondContact OG-N 3.28Å; V155-M159 WeakPolarHBondContact O-CB 3.24Å; V155-M159 PolarHBondContact O-N 2.99Å
156E92.3Very high79.3Confident84 Ų84127.9 Ų127.939%0.39363%0.629SS.*Hα-helixtrans-70.5-36176.4176.759.8-160.300111.4S153 M159 K160S153-E156 PolarHBondContact O-N 3.08Å; S153-E156 PolarHBondContact OG-N 2.86Å; E156-M159 VanDerWaalsContact OE2-CE 3.28Å; E156-M159 WeakPolarHBondContact OE2-CE 3.42Å; E156-K160 WeakPolarHBondContact O-CG 3.26Å; E156-K160 PolarHBondContact O-N 3.32Å; E156-K160 WeakPolarHBondContact OE1-CE 3.43Å; E156-K160 IonicContact OE1-NZ 3.06Å; E156-K160 PolarHBondContact OE1-NZ 2.92Å
157D94.8Very high81.3Confident100 Ų100122.9 Ų122.954%0.53561%0.613SS.*Hα-helixtrans-68.2-46.7174.4-162.648.3000111.5S153 M159 K160 L161S153-D157 PolarHBondContact O-N 3.33Å; D157-M159 VanDerWaalsContact C-N 3.33Å; D157-M159 PolarHBondContact O-N 3.32Å; D157-K160 WeakPolarHBondContact O-CB 3.42Å; D157-K160 PolarHBondContact O-N 2.92Å; D157-K160 VanDerWaalsContact O-N 3.11Å; D157-L161 WeakPolarHBondContact O-CG 3.36Å; D157-L161 PolarHBondContact O-N 3.19Å
158L96.1Very high82.9Confident123 Ų123117.4 Ų117.464%0.64459%0.594SS**Hα-helixtrans-62.7-38.2175.8-159.474.1000112.3S154 K160 L161 A162S154-L158 VanDerWaalsContact O-CB 3.26Å; S154-L158 WeakPolarHBondContact O-CB 3.43Å; S154-L158 PolarHBondContact O-N 3.14Å; L158-K160 VanDerWaalsContact C-N 3.34Å; L158-L161 PolarHBondContact O-N 3.02Å; L158-A162 PolarHBondContact O-N 2.84Å
159M95.5Very high84.9Confident79 Ų79110.2 Ų110.239%0.38957%0.572SS.*Hα-helixtrans-70.6-27.3175179.1167.446.500112.8V155 E156 D157 K163V155-M159 WeakPolarHBondContact O-CB 3.24Å; V155-M159 PolarHBondContact O-N 2.99Å; E156-M159 VanDerWaalsContact OE2-CE 3.28Å; E156-M159 WeakPolarHBondContact OE2-CE 3.42Å; D157-M159 VanDerWaalsContact C-N 3.33Å; D157-M159 PolarHBondContact O-N 3.32Å; M159-K163 HydrophobicContact CG-CD 4.16Å; M159-K163 WeakPolarHBondContact O-CB 3.23Å; M159-K163 WeakPolarHBondContact O-CD 3.3Å; M159-K163 VanDerWaalsContact O-CG 3.24Å; M159-K163 WeakPolarHBondContact O-CG 3.45Å; M159-K163 PolarHBondContact O-N 3.32Å; M159-K163 PolarHBondContact SD-NZ 3.09Å; M159-K163 VanDerWaalsContact SD-NZ 3.36Å
160K95.7Very high86.3Confident116 Ų116111 Ų11150%0.50457%0.566SS.*Hα-helixtrans-71.5-43.7169.3-78.8164.4177.6151.10111.6E156 D157 L158 K163 Q164E156-K160 WeakPolarHBondContact O-CG 3.26Å; E156-K160 PolarHBondContact O-N 3.32Å; E156-K160 WeakPolarHBondContact OE1-CE 3.43Å; E156-K160 IonicContact OE1-NZ 3.06Å; E156-K160 PolarHBondContact OE1-NZ 2.92Å; D157-K160 WeakPolarHBondContact O-CB 3.42Å; D157-K160 PolarHBondContact O-N 2.92Å; D157-K160 VanDerWaalsContact O-N 3.11Å; L158-K160 VanDerWaalsContact C-N 3.34Å; K160-K163 CarbonylContact O-C 3.58Å; K160-K163 PolarHBondContact O-N 2.94Å; K160-Q164 WeakPolarHBondContact O-CB 3.39Å; K160-Q164 PolarHBondContact O-N 3.4Å
161L96.5Very high87Confident96 Ų96110.5 Ų110.550%0.50355%0.55SS..Hα-helixtrans-60.6-44.8176.3-71.4167.9000111.7D157 L158 Q164 F165D157-L161 WeakPolarHBondContact O-CG 3.36Å; D157-L161 PolarHBondContact O-N 3.19Å; L158-L161 PolarHBondContact O-N 3.02Å; L161-Q164 PolarHBondContact O-N 2.89Å; L161-Q164 VanDerWaalsContact O-N 3.17Å; L161-F165 PolarHBondContact O-N 3.44Å
162A96.3Very high87.1Confident50 Ų50104.7 Ų104.741%0.41354%0.535SS..Hα-helixtrans-57.3-54.1173.300000111.5L158 Q164 F165 D166L158-A162 PolarHBondContact O-N 2.84Å; A162-Q164 PolarHBondContact O-N 3.09Å; A162-Q164 VanDerWaalsContact O-N 3.07Å; A162-F165 WeakPolarHBondContact O-CB 3.3Å; A162-F165 PolarHBondContact O-N 3.32Å; A162-D166 VanDerWaalsContact O-CG 3.22Å; A162-D166 PolarHBondContact O-N 3.09Å
163K94.9Very high87.4Confident111 Ų111102.2 Ų102.248%0.48352%0.523SS..Hα-helixtrans-63.2-15.5177.2-70.5170.1-175.1170.30114.4M159 K160 K167M159-K163 HydrophobicContact CG-CD 4.16Å; M159-K163 WeakPolarHBondContact O-CB 3.23Å; M159-K163 WeakPolarHBondContact O-CD 3.3Å; M159-K163 VanDerWaalsContact O-CG 3.24Å; M159-K163 WeakPolarHBondContact O-CG 3.45Å; M159-K163 PolarHBondContact O-N 3.32Å; M159-K163 PolarHBondContact SD-NZ 3.09Å; M159-K163 VanDerWaalsContact SD-NZ 3.36Å; K160-K163 CarbonylContact O-C 3.58Å; K160-K163 PolarHBondContact O-N 2.94Å; K163-K167 VanDerWaalsContact O-CD 3.3Å; K163-K167 WeakPolarHBondContact O-CD 3.48Å; K163-K167 VanDerWaalsContact O-CG 3.23Å; K163-K167 WeakPolarHBondContact O-CG 3.42Å
164Q95.2Very high87.2Confident133 Ų133104.5 Ų104.562%0.62153%0.526SS*.Hα-helixtrans-88.8-35.5173.3-175.5168.7-11.500111.3K160 L161 A162 K167 N168K160-Q164 WeakPolarHBondContact O-CB 3.39Å; K160-Q164 PolarHBondContact O-N 3.4Å; L161-Q164 PolarHBondContact O-N 2.89Å; L161-Q164 VanDerWaalsContact O-N 3.17Å; A162-Q164 PolarHBondContact O-N 3.09Å; A162-Q164 VanDerWaalsContact O-N 3.07Å; Q164-K167 PolarHBondContact O-N 2.93Å; Q164-N168 PolarHBondContact O-N 2.99Å
165F95.2Very high86.1Confident138 Ų138103.4 Ų103.461%0.60552%0.516SS*.Hα-helixtrans-62-48.7170-173.7-93.9000111.2L161 A162 K167 N168 M169L161-F165 PolarHBondContact O-N 3.44Å; A162-F165 WeakPolarHBondContact O-CB 3.3Å; A162-F165 PolarHBondContact O-N 3.32Å; F165-K167 PolarHBondContact O-N 3.03Å; F165-N168 PolarHBondContact O-N 3.04Å; F165-M169 HydrophobicContact CD1-CG 4.15Å; F165-M169 HydrophobicContact CE1-CG 3.79Å; F165-M169 HydrophobicContact CE1-SD 4.16Å; F165-M169 HydrophobicContact CZ-CG 4.17Å; F165-M169 HydrophobicContact CZ-SD 4Å; F165-M169 WeakPolarHBondContact O-CG 3.17Å; F165-M169 PolarHBondContact O-N 3.21Å
166D93.8Very high84.5Confident79 Ų79101.3 Ų101.342%0.42251%0.505SS..Hα-helixtrans-54.2-40.9177.1-56.8-29.6000112A162 Q170A162-D166 VanDerWaalsContact O-CG 3.22Å; A162-D166 PolarHBondContact O-N 3.09Å; D166-Q170 WeakPolarHBondContact O-CG 3.42Å; D166-Q170 PolarHBondContact O-N 2.93Å; D166-Q170 VanDerWaalsContact O-N 3.16Å; D166-Q170 PolarHBondContact O-NE2 3.29Å; D166-Q170 VanDerWaalsContact O-NE2 3.08Å
167K92.5Very high82.9Confident131 Ų13199.7 Ų99.757%0.5751%0.506SS*.Hα-helixtrans-72.8-35.1177.8-74.3174.6-175.4-176.50113.3K163 Q164 F165 Q170 Q171K163-K167 VanDerWaalsContact O-CD 3.3Å; K163-K167 WeakPolarHBondContact O-CD 3.48Å; K163-K167 VanDerWaalsContact O-CG 3.23Å; K163-K167 WeakPolarHBondContact O-CG 3.42Å; Q164-K167 PolarHBondContact O-N 2.93Å; F165-K167 PolarHBondContact O-N 3.03Å; K167-Q170 PolarHBondContact O-N 3.09Å; K167-Q171 WeakPolarHBondContact O-CB 3.31Å; K167-Q171 WeakPolarHBondContact O-CG 2.76Å; K167-Q171 PolarHBondContact O-N 3.42Å
168N92.8Very high81.1Confident89 Ų89101.1 Ų101.148%0.47651%0.51SS..Hα-helixtrans-66-45.8176.9-159.4105.2000110.1Q164 F165 Q170 Q171 D172Q164-N168 PolarHBondContact O-N 2.99Å; F165-N168 PolarHBondContact O-N 3.04Å; N168-Q170 VanDerWaalsContact C-N 3.32Å; N168-Q170 PolarHBondContact O-N 3.44Å; N168-Q171 PolarHBondContact O-N 2.94Å; N168-Q171 VanDerWaalsContact O-N 3.09Å; N168-D172 PolarHBondContact ND2-OD2 3.09Å; N168-D172 PolarHBondContact O-N 3.16Å; N168-D172 VanDerWaalsContact O-N 3.09Å
169M89.3Confident79.2Confident99 Ų99101.3 Ų101.349%0.48851%0.507SS..Hα-helixtrans-55.3-46.3173.5-66.3-65.6-52.300111.7F165 Q171 D172 E173F165-M169 HydrophobicContact CD1-CG 4.15Å; F165-M169 HydrophobicContact CE1-CG 3.79Å; F165-M169 HydrophobicContact CE1-SD 4.16Å; F165-M169 HydrophobicContact CZ-CG 4.17Å; F165-M169 HydrophobicContact CZ-SD 4Å; F165-M169 WeakPolarHBondContact O-CG 3.17Å; F165-M169 PolarHBondContact O-N 3.21Å; M169-Q171 VanDerWaalsContact C-N 3.33Å; M169-Q171 PolarHBondContact O-N 2.94Å; M169-D172 PolarHBondContact O-N 3.28Å; M169-E173 PolarHBondContact O-N 3.39Å
170Q81.4Confident77.4Confident109 Ų109102.8 Ų102.851%0.50952%0.517SS..Hα-helixtrans-66-31.6176.9-74.1161.948.100113.1D166 K167 N168 E173 E174D166-Q170 WeakPolarHBondContact O-CG 3.42Å; D166-Q170 PolarHBondContact O-N 2.93Å; D166-Q170 VanDerWaalsContact O-N 3.16Å; D166-Q170 PolarHBondContact O-NE2 3.29Å; D166-Q170 VanDerWaalsContact O-NE2 3.08Å; K167-Q170 PolarHBondContact O-N 3.09Å; N168-Q170 VanDerWaalsContact C-N 3.32Å; N168-Q170 PolarHBondContact O-N 3.44Å; Q170-E173 PolarHBondContact O-N 2.83Å; Q170-E174 WeakPolarHBondContact O-CB 3.27Å; Q170-E174 WeakPolarHBondContact O-CG 3.4Å; Q170-E174 PolarHBondContact O-N 3.43Å
171Q68.4Low75.6Confident113 Ų113101.8 Ų101.853%0.52852%0.521SS..Hα-helixtrans-72.4-33177.2-78.7180-11.400112.9K167 N168 M169 E173 T175K167-Q171 WeakPolarHBondContact O-CB 3.31Å; K167-Q171 WeakPolarHBondContact O-CG 2.76Å; K167-Q171 PolarHBondContact O-N 3.42Å; N168-Q171 PolarHBondContact O-N 2.94Å; N168-Q171 VanDerWaalsContact O-N 3.09Å; M169-Q171 VanDerWaalsContact C-N 3.33Å; M169-Q171 PolarHBondContact O-N 2.94Å; Q171-E173 VanDerWaalsContact C-N 3.32Å; Q171-T175 VanDerWaalsContact O-CB 3.3Å; Q171-T175 WeakPolarHBondContact O-CB 3.43Å; Q171-T175 VanDerWaalsContact O-CG2 3.24Å; Q171-T175 WeakPolarHBondContact O-CG2 3.47Å; Q171-T175 PolarHBondContact O-N 3.11Å; Q171-T175 PolarHBondContact O-OG1 3.48Å
172D62.4Low73.7Confident95 Ų95101.9 Ų101.951%0.50852%0.521SS..Hα-helixtrans-67.4-34.9173.7-64.7-40.1000111.1N168 M169 S176N168-D172 PolarHBondContact ND2-OD2 3.09Å; N168-D172 PolarHBondContact O-N 3.16Å; N168-D172 VanDerWaalsContact O-N 3.09Å; M169-D172 PolarHBondContact O-N 3.28Å; D172-S176 WeakPolarHBondContact O-CB 3.47Å; D172-S176 PolarHBondContact O-N 3.2Å; D172-S176 PolarHBondContact O-OG 2.75Å
173E65.7Low71.9Confident136 Ų136102.8 Ų102.864%0.63652%0.521SS*.Hα-helixtrans-72.3-47.3170.8-68.1-172169.100113.1M169 Q170 Q171 T175 S176 A177M169-E173 PolarHBondContact O-N 3.39Å; Q170-E173 PolarHBondContact O-N 2.83Å; Q171-E173 VanDerWaalsContact C-N 3.32Å; E173-T175 PolarHBondContact O-N 2.92Å; E173-S176 PolarHBondContact O-N 2.71Å; E173-S176 PolarHBondContact O-OG 2.88Å; E173-A177 WeakPolarHBondContact O-CB 3.34Å; E173-A177 PolarHBondContact O-N 3.38Å
174E60.1Low70Confident122 Ų12298.7 Ų98.757%0.5751%0.51SS*.Hα-helixtrans-65.4-39.2-179.6-77.4-173168.800112.6Q170 Q178Q170-E174 WeakPolarHBondContact O-CB 3.27Å; Q170-E174 WeakPolarHBondContact O-CG 3.4Å; Q170-E174 PolarHBondContact O-N 3.43Å; E174-Q178 WeakPolarHBondContact O-CB 3.47Å; E174-Q178 WeakPolarHBondContact O-CG 3.33Å; E174-Q178 PolarHBondContact O-N 3.48Å
175T57.5Low67.9Low69 Ų69101.2 Ų101.242%0.42351%0.514SS..Hα-helixtrans-72.1-38.8179.356.20000112.2Q171 E173 Q178 Q179Q171-T175 VanDerWaalsContact O-CB 3.3Å; Q171-T175 WeakPolarHBondContact O-CB 3.43Å; Q171-T175 VanDerWaalsContact O-CG2 3.24Å; Q171-T175 WeakPolarHBondContact O-CG2 3.47Å; Q171-T175 PolarHBondContact O-N 3.11Å; Q171-T175 PolarHBondContact O-OG1 3.48Å; E173-T175 PolarHBondContact O-N 2.92Å; T175-Q178 PolarHBondContact O-N 3.47Å; T175-Q179 WeakPolarHBondContact O-CG 3.37Å; T175-Q179 PolarHBondContact O-N 3.19Å
176S58.3Low65.9Low55 Ų55100 Ų10039%0.38551%0.514SS..Hα-helixtrans-67.4-40.5172.758.40000111.6D172 E173 Q178 Q179 N180D172-S176 WeakPolarHBondContact O-CB 3.47Å; D172-S176 PolarHBondContact O-N 3.2Å; D172-S176 PolarHBondContact O-OG 2.75Å; E173-S176 PolarHBondContact O-N 2.71Å; E173-S176 PolarHBondContact O-OG 2.88Å; S176-Q178 PolarHBondContact O-N 3.49Å; S176-Q179 PolarHBondContact O-N 3.46Å; S176-N180 WeakPolarHBondContact O-CB 3.4Å; S176-N180 VanDerWaalsContact O-CG 3.23Å; S176-N180 PolarHBondContact O-N 3.33Å; S176-N180 PolarHBondContact O-ND2 3.02Å
177A58.6Low63.8Low51 Ų51104.9 Ų104.942%0.42153%0.526SS..Hα-helixtrans-61.6-41173.300000113E173 N180 T181E173-A177 WeakPolarHBondContact O-CB 3.34Å; E173-A177 PolarHBondContact O-N 3.38Å; A177-N180 PolarHBondContact O-N 3.5Å; A177-T181 WeakPolarHBondContact O-CB 3.42Å; A177-T181 PolarHBondContact O-N 3.32Å; A177-T181 PolarHBondContact O-OG1 2.9Å
178Q56.9Low61.4Low129 Ų129105.5 Ų105.560%0.60354%0.535SS*.Hα-helixtrans-67.6-42.2174.4-78-169.81.400112.3E174 T175 S176 N180 T181 I182E174-Q178 WeakPolarHBondContact O-CB 3.47Å; E174-Q178 WeakPolarHBondContact O-CG 3.33Å; E174-Q178 PolarHBondContact O-N 3.48Å; T175-Q178 PolarHBondContact O-N 3.47Å; S176-Q178 PolarHBondContact O-N 3.49Å; Q178-N180 VanDerWaalsContact C-N 3.34Å; Q178-N180 PolarHBondContact O-N 2.78Å; Q178-T181 PolarHBondContact O-N 2.93Å; Q178-I182 VanDerWaalsContact O-CG1 3.29Å; Q178-I182 WeakPolarHBondContact O-CG1 3.24Å; Q178-I182 PolarHBondContact O-N 2.89Å
179Q56.2Low59.1Low127 Ų127105.9 Ų105.959%0.59354%0.541SS*.Hα-helixtrans-62.8-39.9175.3-72.9-179.333.800111.9T175 S176 I182 T183T175-Q179 WeakPolarHBondContact O-CG 3.37Å; T175-Q179 PolarHBondContact O-N 3.19Å; S176-Q179 PolarHBondContact O-N 3.46Å; Q179-I182 PolarHBondContact O-N 2.8Å; Q179-T183 WeakPolarHBondContact O-CB 3.3Å; Q179-T183 WeakPolarHBondContact O-CG2 3.21Å; Q179-T183 PolarHBondContact O-N 3Å; Q179-T183 PolarHBondContact O-OG1 3.4Å
180N58Low56.9Low110 Ų110105.3 Ų105.359%0.58855%0.552SS**Hα-helixtrans-64.7-37.7173.5-72.7-28.7000112.2S176 A177 Q178 T183 G184S176-N180 WeakPolarHBondContact O-CB 3.4Å; S176-N180 VanDerWaalsContact O-CG 3.23Å; S176-N180 PolarHBondContact O-N 3.33Å; S176-N180 PolarHBondContact O-ND2 3.02Å; A177-N180 PolarHBondContact O-N 3.5Å; Q178-N180 VanDerWaalsContact C-N 3.34Å; Q178-N180 PolarHBondContact O-N 2.78Å; N180-T183 WeakPolarHBondContact CA-OG1 3.42Å; N180-T183 PolarHBondContact O-OG1 3.46Å; N180-G184 PolarHBondContact O-N 3.21Å
181T57.2Low55.1Low96 Ų96107.2 Ų107.259%0.58957%0.566SS**Hα-helixtrans-66.8-43.1175.3-580000111.9A177 Q178 G184 R185A177-T181 WeakPolarHBondContact O-CB 3.42Å; A177-T181 PolarHBondContact O-N 3.32Å; A177-T181 PolarHBondContact O-OG1 2.9Å; Q178-T181 PolarHBondContact O-N 2.93Å; T181-G184 PolarHBondContact O-N 2.84Å; T181-R185 PolarHBondContact O-N 3Å
182I58Low54Low98 Ų98108.4 Ų108.450%0.50358%0.58SS.*Hα-helixtrans-68.9-41.9179.7-68164.1000111.1Q178 Q179 G184 R185 L186Q178-I182 VanDerWaalsContact O-CG1 3.29Å; Q178-I182 WeakPolarHBondContact O-CG1 3.24Å; Q178-I182 PolarHBondContact O-N 2.89Å; Q179-I182 PolarHBondContact O-N 2.8Å; I182-G184 VanDerWaalsContact C-N 3.32Å; I182-R185 PolarHBondContact O-N 3.23Å; I182-L186 HydrophobicContact CG2-CD1 4.25Å; I182-L186 PolarHBondContact O-N 3.09Å
183T56.8Low52.8Low68 Ų68108.4 Ų108.442%0.41759%0.588SS.*Hα-helixtrans-76.4-16.2176.257.30000113.9Q179 N180 R187Q179-T183 WeakPolarHBondContact O-CB 3.3Å; Q179-T183 WeakPolarHBondContact O-CG2 3.21Å; Q179-T183 PolarHBondContact O-N 3Å; Q179-T183 PolarHBondContact O-OG1 3.4Å; N180-T183 WeakPolarHBondContact CA-OG1 3.42Å; N180-T183 PolarHBondContact O-OG1 3.46Å; T183-R187 PolarHBondContact O-NE 3.41Å; T183-R187 PolarHBondContact O-NH2 2.75Å
184G55Low51.8Low25 Ų25110.7 Ų110.726%0.25860%0.599SS.*Hα-helixtrans-67.9-57.9159.500000110.6N180 T181 I182 L186 R187N180-G184 PolarHBondContact O-N 3.21Å; T181-G184 PolarHBondContact O-N 2.84Å; I182-G184 VanDerWaalsContact C-N 3.32Å; G184-L186 PolarHBondContact O-N 2.96Å; G184-L186 VanDerWaalsContact O-N 3.11Å; G184-R187 PolarHBondContact O-N 3.08Å
185R52.4Low50.7Low187 Ų187112.3 Ų112.371%0.70661%0.611SS**Hα-helixtrans-62.2-23.3-174.6-137.4-178.2-161.9-71.5-1.2115T181 I182T181-R185 PolarHBondContact O-N 3Å; I182-R185 PolarHBondContact O-N 3.23Å
186L53.2Low50.3Low113 Ų113115 Ų11559%0.59263%0.627SS**THydrogen-bonded Turntrans-78.5-14.5174.4-99159.7000114.4I182 G184I182-L186 HydrophobicContact CG2-CD1 4.25Å; I182-L186 PolarHBondContact O-N 3.09Å; G184-L186 PolarHBondContact O-N 2.96Å; G184-L186 VanDerWaalsContact O-N 3.11Å
187R48.5Very low49.3Very low181 Ų181118.6 Ų118.668%0.68365%0.646SS**THydrogen-bonded Turntrans-84.9-31.6174.7-79.8177.7-85.9177.1-5.9112.6T183 G184 T189T183-R187 PolarHBondContact O-NE 3.41Å; T183-R187 PolarHBondContact O-NH2 2.75Å; G184-R187 PolarHBondContact O-N 3.08Å; R187-T189 VanDerWaalsContact C-N 3.26Å; R187-T189 PolarHBondContact O-N 2.82Å
188D42.3Very low48.8Very low144 Ų144125.8 Ų125.877%0.7767%0.668SS**THydrogen-bonded Turntrans-76.6-6.2179.9-64.7-21.2000114.2
189T45.4Very low47.7Very low97 Ų97127.9 Ų127.960%0.59568%0.678SS**THydrogen-bonded Turntrans-121.222.5178.769.80000113.4R187 D191R187-T189 VanDerWaalsContact C-N 3.26Å; R187-T189 PolarHBondContact O-N 2.82Å; T189-D191 VanDerWaalsContact C-N 3.3Å; T189-D191 PolarHBondContact O-N 3.33Å
190A41.8Very low47Very low86 Ų86127.4 Ų127.471%0.71169%0.686SS**  trans-94.838.4179.800000112.8
191D45Very low45.8Very low150 Ų150133.9 Ų133.980%0.80270%0.702SS**  trans-136.2144.2172.1-151.4-13.6000109T189T189-D191 VanDerWaalsContact C-N 3.3Å; T189-D191 PolarHBondContact O-N 3.33Å
192V45Very low45Very low137 Ų137134.4 Ų134.483%0.8371%0.709SS**SBendtrans81.3128.7-166.8-175.20000117.6
193S37.3Very low44.5Very low96 Ų96134.1 Ų134.167%0.67171%0.713SS**  trans72.598.1168.6-151.60000118.7
194E43.8Very low44.5Very low184 Ų184133.5 Ų133.586%0.8671%0.711SS**  trans-54147.1140.7-55.3179.3131.400110.2
195N37.1Very low44.7Very low155 Ų155139.8 Ų139.883%0.82974%0.738SS**  trans-168.4156.1142.9-109.7-60.8000111.7
196V48.6Very low45.4Very low127 Ų127135.1 Ų135.177%0.7773%0.734SS**  trans-94.9118.7-165178.20000113.2
197V37.4Very low46.3Very low129 Ų129135 Ų13578%0.78273%0.731SS**  trans-137.1143.6153.7-178.50000109.1
198K49.8Very low47.7Very low202 Ų202131.7 Ų131.788%0.87872%0.723SS**  trans-106.8122.5171.5-65178.5-178.9176.50109.4
199E33Very low49.4Very low174 Ų174127.2 Ų127.281%0.81371%0.706SS**  trans-143.7141.6169.7-158.6157.5-154.100109R201E199-R201 PolarHBondContact O-N 3.18Å
200P41.6Very low51Low117 Ų117127 Ų12776%0.7670%0.698SS**  trans-73.3120.6-168.727.5-33.5000111.8C202P200-C202 PolarHBondContact O-N 2.97Å; P200-C202 VanDerWaalsContact O-N 3.14Å
201R33.6Very low52.8Low246 Ų246125.4 Ų125.493%0.92869%0.685SS**  trans-58.1114.5172.6-167.7176.7-168.1156.92.2109.4E199E199-R201 PolarHBondContact O-N 3.18Å
202C40.2Very low54.5Low107 Ų107124.2 Ų124.272%0.72367%0.674SS**PPolyproline II helixtrans-60.6142.1169.2-66.80000109.2P200P200-C202 PolarHBondContact O-N 2.97Å; P200-C202 VanDerWaalsContact O-N 3.14Å
203P47.6Very low56.3Low92 Ų92122.4 Ų122.460%0.59766%0.66SS**PPolyproline II helixtrans-59.5142171.827.6-34.1000109
204S55.2Low58.4Low54 Ų54124 Ų12438%0.37865%0.651SS.*PPolyproline II helixtrans-67.9151.7178.166.60000110.7S206 E207 Q208S204-S206 PolarHBondContact O-N 2.8Å; S204-S206 VanDerWaalsContact O-N 3.09Å; S204-E207 VanDerWaalsContact CB-OE2 3.27Å; S204-E207 WeakPolarHBondContact CB-OE2 3.43Å; S204-E207 PolarHBondContact N-OE2 2.89Å; S204-E207 PolarHBondContact O-N 2.92Å; S204-E207 WeakPolarHBondContact OG-CG 3.46Å; S204-E207 PolarHBondContact OG-N 2.92Å; S204-E207 PolarHBondContact OG-OE2 3.4Å; S204-Q208 PolarHBondContact O-N 3.31Å
205L60Low60.1Low158 Ų158118.5 Ų118.583%0.82764%0.637SS**Hα-helixtrans-54.5-32.3177.3-16675.5000111.8A209L205-A209 WeakPolarHBondContact O-CB 3.34Å; L205-A209 PolarHBondContact O-N 3.03Å
206S66.4Low62.1Low89 Ų89116.8 Ų116.862%0.62263%0.627SS**Hα-helixtrans-62.2-50.5174.3-168.30000112.4S204 Q208 A209 E210S204-S206 PolarHBondContact O-N 2.8Å; S204-S206 VanDerWaalsContact O-N 3.09Å; S206-Q208 VanDerWaalsContact C-N 3.29Å; S206-Q208 PolarHBondContact O-N 3.11Å; S206-A209 PolarHBondContact O-N 3.27Å; S206-E210 WeakPolarHBondContact O-CB 3.29Å; S206-E210 PolarHBondContact O-N 3.38Å
207E72.6Confident63.3Low111 Ų111118.7 Ų118.752%0.51963%0.625SS.*Hα-helixtrans-62.4-35.3179.5-71.7161.3112.300112.2S204 A211S204-E207 VanDerWaalsContact CB-OE2 3.27Å; S204-E207 WeakPolarHBondContact CB-OE2 3.43Å; S204-E207 PolarHBondContact N-OE2 2.89Å; S204-E207 PolarHBondContact O-N 2.92Å; S204-E207 WeakPolarHBondContact OG-CG 3.46Å; S204-E207 PolarHBondContact OG-N 2.92Å; S204-E207 PolarHBondContact OG-OE2 3.4Å; E207-A211 VanDerWaalsContact O-CB 3.3Å; E207-A211 WeakPolarHBondContact O-CB 3.4Å; E207-A211 PolarHBondContact O-N 2.81Å
208Q78.1Confident64.7Low110 Ų110118.9 Ų118.951%0.51462%0.622SS.*Hα-helixtrans-72.2-42.2175.8-176.6162.6-23.100112.3S204 S206 E210 A211 E212S204-Q208 PolarHBondContact O-N 3.31Å; S206-Q208 VanDerWaalsContact C-N 3.29Å; S206-Q208 PolarHBondContact O-N 3.11Å; Q208-E210 VanDerWaalsContact C-N 3.31Å; Q208-E210 PolarHBondContact O-N 3.33Å; Q208-A211 PolarHBondContact O-N 3.45Å; Q208-E212 PolarHBondContact O-N 3.29Å
209A77.8Confident64.9Low50 Ų50112.8 Ų112.841%0.41361%0.605SS.*Hα-helixtrans-61.7-40.4174.100000111.8L205 S206 E212 L213L205-A209 WeakPolarHBondContact O-CB 3.34Å; L205-A209 PolarHBondContact O-N 3.03Å; S206-A209 PolarHBondContact O-N 3.27Å; A209-E212 PolarHBondContact O-N 2.95Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 WeakPolarHBondContact O-CG 3.48Å; A209-L213 PolarHBondContact O-N 2.94Å
210E78.5Confident66Low93 Ų93109.6 Ų109.644%0.43560%0.602SS.*Hα-helixtrans-67.5-34.3176.3-152.4-162.9-167.400112.2S206 Q208 R214S206-E210 WeakPolarHBondContact O-CB 3.29Å; S206-E210 PolarHBondContact O-N 3.38Å; Q208-E210 VanDerWaalsContact C-N 3.31Å; Q208-E210 PolarHBondContact O-N 3.33Å; E210-R214 WeakPolarHBondContact O-CG 3.25Å; E210-R214 PolarHBondContact O-N 2.98Å; E210-R214 IonicContact OE1-CZ 3.2Å; E210-R214 IonicContact OE1-NH1 3.62Å; E210-R214 IonicContact OE1-NH2 2.73Å; E210-R214 PolarHBondContact OE1-NH2 2.85Å; E210-R214 IonicContact OE2-CZ 3.99Å; E210-R214 IonicContact OE2-NH1 2.69Å; E210-R214 PolarHBondContact OE2-NH1 3.32Å; E210-R214 IonicContact OE2-NH2 3.12Å; E210-R214 PolarHBondContact OE2-NH2 3.26Å; E210-R214 VanDerWaalsContact OE2-NH2 3.12Å
211A80.1Confident66.8Low52 Ų52110.3 Ų110.343%0.4360%0.604SS.*Hα-helixtrans-69.9-40.1173.600000112.8E207 Q208 R214 A215E207-A211 VanDerWaalsContact O-CB 3.3Å; E207-A211 WeakPolarHBondContact O-CB 3.4Å; E207-A211 PolarHBondContact O-N 2.81Å; Q208-A211 PolarHBondContact O-N 3.45Å; A211-R214 PolarHBondContact O-N 2.75Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 2.76Å
212E80.6Confident68.2Low125 Ų125107.3 Ų107.358%0.58460%0.601SS**Hα-helixtrans-65-41.2174-75.3-176.5-174.100111.6Q208 A209 A215 L216Q208-E212 PolarHBondContact O-N 3.29Å; A209-E212 PolarHBondContact O-N 2.95Å; E212-A215 PolarHBondContact O-N 3.49Å; E212-L216 WeakPolarHBondContact O-CB 3.35Å; E212-L216 PolarHBondContact O-N 3.41Å
213L83.7Confident68.9Low100 Ų100105.6 Ų105.652%0.52460%0.601SS.*Hα-helixtrans-61.7-44.2173.9-73.9169.4000112.1A209 L216 F217A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 WeakPolarHBondContact O-CG 3.48Å; A209-L213 PolarHBondContact O-N 2.94Å; L213-L216 WeakPolarHBondContact O-CB 3.42Å; L213-L216 PolarHBondContact O-N 2.79Å; L213-F217 VanDerWaalsContact O-CD2 3.22Å; L213-F217 WeakPolarHBondContact O-CD2 3.49Å; L213-F217 PolarHBondContact O-N 3.47Å
214R80.1Confident69.1Low130 Ų130109.2 Ų109.249%0.49161%0.614SS.*Hα-helixtrans-59.8-47.8173.6-74.3179.7-176.5107.54.7111.7E210 A211 L216 F217 D218E210-R214 WeakPolarHBondContact O-CG 3.25Å; E210-R214 PolarHBondContact O-N 2.98Å; E210-R214 IonicContact OE1-CZ 3.2Å; E210-R214 IonicContact OE1-NH1 3.62Å; E210-R214 IonicContact OE1-NH2 2.73Å; E210-R214 PolarHBondContact OE1-NH2 2.85Å; E210-R214 IonicContact OE2-CZ 3.99Å; E210-R214 IonicContact OE2-NH1 2.69Å; E210-R214 PolarHBondContact OE2-NH1 3.32Å; E210-R214 IonicContact OE2-NH2 3.12Å; E210-R214 PolarHBondContact OE2-NH2 3.26Å; E210-R214 VanDerWaalsContact OE2-NH2 3.12Å; A211-R214 PolarHBondContact O-N 2.75Å; R214-L216 PolarHBondContact O-N 3.34Å; R214-F217 PolarHBondContact O-N 2.95Å; R214-F217 VanDerWaalsContact O-N 3.12Å; R214-D218 WeakPolarHBondContact O-CB 3.33Å; R214-D218 PolarHBondContact O-N 3.43Å
215A79.4Confident68.6Low67 Ų67112.7 Ų112.755%0.55464%0.638SS**Hα-helixtrans-60.6-30.5178.300000113.4A211 E212A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 2.76Å; E212-A215 PolarHBondContact O-N 3.49Å
216L80.3Confident67.7Low119 Ų119108.5 Ų108.562%0.62363%0.633SS**Hα-helixtrans-69.8-34.7176.6-163.272000112.8E212 L213 R214 S219E212-L216 WeakPolarHBondContact O-CB 3.35Å; E212-L216 PolarHBondContact O-N 3.41Å; L213-L216 WeakPolarHBondContact O-CB 3.42Å; L213-L216 PolarHBondContact O-N 2.79Å; R214-L216 PolarHBondContact O-N 3.34Å; L216-S219 PolarHBondContact O-OG 3.26Å
217F73.3Confident66.6Low167 Ų167116 Ų11673%0.73265%0.648SS**Hα-helixtrans-96.4-28.1-177.8-68.5-67.2000114.1L213 R214 S219L213-F217 VanDerWaalsContact O-CD2 3.22Å; L213-F217 WeakPolarHBondContact O-CD2 3.49Å; L213-F217 PolarHBondContact O-N 3.47Å; R214-F217 PolarHBondContact O-N 2.95Å; R214-F217 VanDerWaalsContact O-N 3.12Å; F217-S219 PolarHBondContact O-N 3.42Å
218D67.7Low65Low133 Ų133118.6 Ų118.671%0.71166%0.664SS**SBendtrans-75.8-0.6175.1-78.4-32.3000113.6R214 S220R214-D218 WeakPolarHBondContact O-CB 3.33Å; R214-D218 PolarHBondContact O-N 3.43Å; D218-S220 VanDerWaalsContact C-N 3.32Å; D218-S220 PolarHBondContact O-N 3.08Å
219S52.9Low63.2Low75 Ų75119.3 Ų119.352%0.52468%0.682SS.*  trans-71.481.7178.8700000112.1L216 F217 T221L216-S219 PolarHBondContact O-OG 3.26Å; F217-S219 PolarHBondContact O-N 3.42Å; S219-T221 PolarHBondContact O-N 3.42Å; S219-T221 VanDerWaalsContact O-N 3.15Å
220S57.4Low61.2Low107 Ų107126.7 Ų126.775%0.74871%0.707SS**  trans-53.9116.2-179-178.40000112.7D218 Q222D218-S220 VanDerWaalsContact C-N 3.32Å; D218-S220 PolarHBondContact O-N 3.08Å; S220-Q222 VanDerWaalsContact C-N 3.35Å; S220-Q222 PolarHBondContact O-N 3.45Å
221T58.3Low58.9Low132 Ų132125.9 Ų125.981%0.8172%0.724SS**  trans-85-1.6-175.449.50000114.3S219 G223S219-T221 PolarHBondContact O-N 3.42Å; S219-T221 VanDerWaalsContact O-N 3.15Å; T221-G223 PolarHBondContact O-N 2.76Å
222Q62.8Low56.6Low183 Ų183128.9 Ų128.986%0.85574%0.742SS**  trans-96.373.8-177.6-63.2-163.121.600112.4S220S220-Q222 VanDerWaalsContact C-N 3.35Å; S220-Q222 PolarHBondContact O-N 3.45Å
223G55.1Low54.2Low71 Ų71129.4 Ų129.473%0.73275%0.754SS**  trans-113.93.2-177.300000116.8T221T221-G223 PolarHBondContact O-N 2.76Å
224I51.6Low51.6Low168 Ų168129.2 Ų129.286%0.86276%0.76SS**  trans-139.185.9-174.548162.6000114.4
225S43.6Very low49.4Very low126 Ų126128.8 Ų128.888%0.88178%0.778SS**  trans-149.268.4153.8-163.30000110.4
226G41.7Very low47.2Very low71 Ų71133.4 Ų133.473%0.73279%0.788SS**  trans-67.6138.8172.300000110.9L228G226-L228 PolarHBondContact O-N 3.17Å
227R43.7Very low44.8Very low246 Ų246134.4 Ų134.493%0.92879%0.794SS**  trans-58126.1-178.7-66.9174.5175.5-107.62.5111.6
228L39Very low43Very low166 Ų166135.5 Ų135.587%0.86979%0.793SS**  trans-14178.4165.9-75.2-179.6000111.2G226G226-L228 PolarHBondContact O-N 3.17Å
229S40.3Very low41.5Very low125 Ų125135.4 Ų135.487%0.87479%0.788SS**  trans-177.1122142.5-78.60000109.4
230E35.6Very low40.3Very low204 Ų204137.6 Ų137.695%0.95379%0.794SS**  trans-90.8150.2161.6-63177.6128.900108.9
231G29.6Very low39.2Very low77 Ų77139.6 Ų139.679%0.79480%0.795SS**  trans179.3112179.400000112.9
232S31.7Very low37.7Very low115 Ų115137.3 Ų137.380%0.80479%0.79SS**  trans-21.3150.7167-132.60000116.8
233V30.6Very low36.1Very low136 Ų136136.7 Ų136.782%0.82479%0.787SS**  cis-147.315641.3-172.50000112.5
234S29.5Very low34.7Very low95 Ų95139 Ų13966%0.66479%0.787SS**  trans-76.4150.8174.2-179.60000114.3
235S32.4Very low33.5Very low122 Ų122138.6 Ų138.685%0.85379%0.786SS**  trans-157.1164.6133.2-151.30000111.9
236Q34.7Very low32.6Very low164 Ų164136.7 Ų136.777%0.76678%0.778SS**  trans-115.8148.8-166.8-63.1151.3-114.700113.4
237D29.1Very low31.9Very low140 Ų140142.5 Ų142.575%0.74978%0.783SS**  -166.3125.7122.9-106.2-18.7000108.8
238R36.3Very low31.2Very low189 Ų189136.5 Ų136.571%0.71377%0.774SS**  68.5106.485.3-65.2-167.181.4176.82.3113.3
239Q35.8Very low30.6Very low132 Ų132134.7 Ų134.762%0.61777%0.765SS**  79.7142.995.4-77.8-176.6-61.200113.3
240D27.1Very low30Very low120 Ų120137.4 Ų137.464%0.64276%0.764SS**  cis-155.9173.56.6-124.8-35.2000113.3
241L33.8Very low29.6Very low149 Ų149136 Ų13678%0.7875%0.75SS**  trans29.5119.5146.2-137.860.2000120.5
242A27.8Very low29.6Very low84 Ų84139.6 Ų139.669%0.69475%0.746SS**  57.4155.892.900000116.3
243E29Very low29.5Very low170 Ų170139.2 Ų139.279%0.79474%0.743SS**  cis-159.6130.916.1-134.1164.7179.800107.7
244T26.3Very low29.3Very low120 Ų120140 Ų14074%0.73674%0.738SS**  83.2152.8102.3-640000118.1
245L26.8Very low29.4Very low160 Ų160140.8 Ų140.884%0.83874%0.741SS**  trans90.6117.3-178.5-54.7-179.3000115.1
246A24.6Very low29.6Very low86 Ų86143.1 Ų143.171%0.71174%0.735SS**  91.2143.552.700000112
247F26.5Very low29.4Very low193 Ų193141.3 Ų141.385%0.84674%0.738SS**  cis-159178.911.6-152.9-120.3000111.4
248V29.6Very low29.4Very low119 Ų119138.9 Ų138.972%0.72174%0.737SS**  trans67.3108.1173.7-170.20000114.8
249D25Very low29.3Very low129 Ų129137.1 Ų137.169%0.6974%0.737SS**  78.8103.751.9-174.129.2000116.1R251D249-R251 PolarHBondContact OD1-N 3.18Å
250Q28.8Very low29.3Very low182 Ų182138.6 Ų138.685%0.8574%0.741SS**  trans-150.3102.3132.5-149.2153.1117.900114
251R26.8Very low29.5Very low175 Ų175142.1 Ų142.166%0.6675%0.754SS**  trans56.6114.4135.7-59-81.7-69-137.5-5.9121.3D249D249-R251 PolarHBondContact OD1-N 3.18Å
252Q29.1Very low29.5Very low152 Ų152139.6 Ų139.671%0.7175%0.749SS**  trans68.4144.3136.3-59.4178.4-69.200118.8
253S29.2Very low29.9Very low106 Ų106141.2 Ų141.274%0.74175%0.75SS**  cis-162.5147.5-9.742.30000110.8
254E27.8Very low30.4Very low152 Ų152140.6 Ų140.671%0.7175%0.752SS**  trans-66.1152.2167.7-139.4-166.8139.500110.4
255P30.6Very low31.5Very low113 Ų113142.8 Ų142.873%0.73476%0.76SS**  -145163.785.840.2-25.5000115.7
256K36Very low32.1Very low170 Ų170142.2 Ų142.274%0.73976%0.756SS**  trans-60.9153.6158.3-65.6165.5-172.7170.60111.1
257P31.8Very low33.5Very low126 Ų126143.6 Ų143.682%0.81876%0.756SS**  -135.4-17110939.4-30.5000112.8
258A29.1Very low34.4Very low89 Ų89140.3 Ų140.374%0.73675%0.747SS**  trans-107170.3179.400000112.5
259E32.8Very low35.1Very low152 Ų152143.6 Ų143.671%0.7175%0.752SS**  trans79.2158.4147.7-131.1177.6-115.500119.9
260K37.8Very low36.4Very low163 Ų163145 Ų14571%0.70975%0.754SS**  trans74.199.3161.6-69161.4179.1134.20120.2
261H29.4Very low38Very low194 Ų194142.3 Ų142.390%0.89875%0.746SS**  trans-124.8116.3134.4-38.4-42.1000104.5
262S34.7Very low39.6Very low96 Ų96140.1 Ų140.167%0.67175%0.747SS**  cis76.596.841.1-1530000114
263T37Very low41.2Very low118 Ų118142.4 Ų142.472%0.72475%0.75SS**  trans52.5107.5137.857.80000119.2
264N39.5Very low42.4Very low158 Ų158145.4 Ų145.485%0.84576%0.757SS**  trans-151.397.2141.1-99-55.3000110.2L266N264-L266 PolarHBondContact O-N 2.89Å
265N48.8Very low43.8Very low166 Ų166143.9 Ų143.989%0.88875%0.754SS**  trans6.580.1168-55.7-58000116.9
266L40.2Very low45.3Very low147 Ų147143.6 Ų143.677%0.7775%0.746SS**  trans-77.1140.6146.7-174.461.5000106.8N264 D268N264-L266 PolarHBondContact O-N 2.89Å; L266-D268 VanDerWaalsContact C-N 3.3Å; L266-D268 PolarHBondContact O-N 3.42Å; L266-D268 VanDerWaalsContact O-N 3.09Å
267V53.8Low46.6Very low116 Ų116140 Ų14070%0.70374%0.735SS**  trans-74.897.4161176.10000105.2F269V267-F269 HydrophobicContact CG1-CE2 4.36Å; V267-F269 PolarHBondContact O-N 3.34Å
268D44.3Very low47.9Very low124 Ų124138.6 Ų138.666%0.66372%0.72SS**  trans-64.4121.9171.5-128.8-11000107.3L266 E270L266-D268 VanDerWaalsContact C-N 3.3Å; L266-D268 PolarHBondContact O-N 3.42Å; L266-D268 VanDerWaalsContact O-N 3.09Å; D268-E270 VanDerWaalsContact C-N 3.31Å; D268-E270 PolarHBondContact O-N 3.31Å
269F44.9Very low49.2Very low188 Ų188141.7 Ų141.783%0.82572%0.723SS**  trans-84.590.2162.5-79.3-97.3000104.4V267 D271V267-F269 HydrophobicContact CG1-CE2 4.36Å; V267-F269 PolarHBondContact O-N 3.34Å; F269-D271 PolarHBondContact O-N 3.12Å
270E52Low50.3Low157 Ų157139.2 Ų139.273%0.73472%0.715SS**  trans-53.7134.4171.1-71.1-170-164.200108.5D268 D272D268-E270 VanDerWaalsContact C-N 3.31Å; D268-E270 PolarHBondContact O-N 3.31Å; E270-D272 PolarHBondContact O-N 3.35Å
271D62.3Low51.1Low127 Ų127135.6 Ų135.668%0.67970%0.704SS**  trans-82.874.4-169.9-146.915.9000108.2F269 W273 D274F269-D271 PolarHBondContact O-N 3.12Å; D271-W273 PolarHBondContact O-N 2.94Å; D271-D274 PolarHBondContact O-N 2.94Å; D271-D274 VanDerWaalsContact O-N 3.08Å
272D59.4Low52.6Low128 Ų128130.9 Ų130.968%0.68469%0.692SS**G310 helixtrans-50.7-9.4-176.6-91.3-32.9000114.5E270 D274 N275E270-D272 PolarHBondContact O-N 3.35Å; D272-D274 VanDerWaalsContact C-N 3.28Å; D272-D274 PolarHBondContact O-N 2.88Å; D272-N275 PolarHBondContact O-N 2.93Å; D272-N275 VanDerWaalsContact O-N 3.17Å
273W63.8Low53.6Low201 Ų201132.6 Ų132.676%0.76169%0.694SS**G310 helixtrans-66.4-21.4173.3-57.685.4000114.2D271 N275D271-W273 PolarHBondContact O-N 2.94Å; W273-N275 PolarHBondContact O-N 3.03Å
274D54.9Low54.7Low169 Ų169130.7 Ų130.790%0.90468%0.678SS**G310 helixtrans-77.9-4.7172.6-119.919000112.2D271 D272D271-D274 PolarHBondContact O-N 2.94Å; D271-D274 VanDerWaalsContact O-N 3.08Å; D272-D274 VanDerWaalsContact C-N 3.28Å; D272-D274 PolarHBondContact O-N 2.88Å
275N56.5Low55.7Low119 Ų119127 Ų12764%0.63666%0.658SS**G310 helixtrans-113.935.4178.8-160.843000112.1D272 W273 D277D272-N275 PolarHBondContact O-N 2.93Å; D272-N275 VanDerWaalsContact O-N 3.17Å; W273-N275 PolarHBondContact O-N 3.03Å; N275-D277 PolarHBondContact O-N 3.05Å
276D63.1Low56.1Low108 Ų108122.3 Ų122.358%0.57864%0.642SS**  trans-68.669.2173.5-113-3.1000110.7L278D276-L278 HydrophobicContact CB-CD1 4.24Å; D276-L278 PolarHBondContact O-N 3.33Å
277D62.9Low57.1Low93 Ų93122.1 Ų122.150%0.49764%0.641SS.*  trans-74.940.8-177.5-148.618.4000112.1N275 L279 N280 D281N275-D277 PolarHBondContact O-N 3.05Å; D277-L279 PolarHBondContact O-N 2.95Å; D277-N280 HydrophobicContact CB-CB 4.25Å; D277-N280 VanDerWaalsContact CG-CB 3.45Å; D277-N280 WeakPolarHBondContact O-CA 3.36Å; D277-N280 WeakPolarHBondContact O-CB 3.37Å; D277-N280 PolarHBondContact O-N 3.44Å; D277-N280 VanDerWaalsContact OD2-CB 3.25Å; D277-N280 WeakPolarHBondContact OD2-CB 3.42Å; D277-N280 PolarHBondContact OD2-ND2 3.04Å; D277-D281 PolarHBondContact O-N 2.78Å
278L58.8Low57.3Low98 Ų98122 Ų12251%0.51364%0.641SS.*THydrogen-bonded Turntrans-58.7-11.9-178.9-78.6162.5000114.1D276D276-L278 HydrophobicContact CB-CD1 4.24Å; D276-L278 PolarHBondContact O-N 3.33Å
279L56.7Low57.7Low153 Ų153121.5 Ų121.580%0.80164%0.635SS**THydrogen-bonded Turntrans-91.1-17.2173.5-60.6178.1000113D277D277-L279 PolarHBondContact O-N 2.95Å
280N56.2Low58Low101 Ų101119.2 Ų119.254%0.5463%0.631SS.*THydrogen-bonded Turntrans-95.9-9.9178.4-153.44.5000111.8D277 S282D277-N280 HydrophobicContact CB-CB 4.25Å; D277-N280 VanDerWaalsContact CG-CB 3.45Å; D277-N280 WeakPolarHBondContact O-CA 3.36Å; D277-N280 WeakPolarHBondContact O-CB 3.37Å; D277-N280 PolarHBondContact O-N 3.44Å; D277-N280 VanDerWaalsContact OD2-CB 3.25Å; D277-N280 WeakPolarHBondContact OD2-CB 3.42Å; D277-N280 PolarHBondContact OD2-ND2 3.04Å; N280-S282 PolarHBondContact O-N 3.21Å; N280-S282 VanDerWaalsContact O-N 3.11Å
281D53.9Low57.6Low87 Ų87118.2 Ų118.247%0.46564%0.638SS.*  trans-56.2114174.4-123.8-12.7000110.6D277 L283 I284 L285D277-D281 PolarHBondContact O-N 2.78Å; D281-L283 PolarHBondContact O-N 2.95Å; D281-I284 HydrophobicContact CB-CG1 4.23Å; D281-I284 PolarHBondContact O-N 3.38Å; D281-L285 PolarHBondContact O-N 3.28Å
282S60.6Low56.7Low94 Ų94116.3 Ų116.366%0.65764%0.635SS**Hα-helixtrans-62.7-11.3-176.6-68.40000113.6N280 A286N280-S282 PolarHBondContact O-N 3.21Å; N280-S282 VanDerWaalsContact O-N 3.11Å; S282-A286 VanDerWaalsContact O-CB 3.31Å; S282-A286 WeakPolarHBondContact O-CB 3.32Å; S282-A286 PolarHBondContact O-N 3.21Å; S282-A286 VanDerWaalsContact O-N 3.14Å
283L56.6Low55.9Low133 Ų133117.2 Ų117.270%0.69664%0.64SS**Hα-helixtrans-73.9-41.2170.6-131.878.5000112.7D281 A286 L287D281-L283 PolarHBondContact O-N 2.95Å; L283-A286 PolarHBondContact O-N 3.05Å; L283-L287 PolarHBondContact O-N 3.22Å; L283-L287 VanDerWaalsContact O-N 3.08Å
284I59.6Low54.8Low78 Ų78113 Ų11340%0.464%0.638SS.*Hα-helixtrans-68.7-42.6176.5-61.6-61.6000109.7D281 A286 L287 T288D281-I284 HydrophobicContact CB-CG1 4.23Å; D281-I284 PolarHBondContact O-N 3.38Å; I284-A286 VanDerWaalsContact C-N 3.26Å; I284-A286 PolarHBondContact O-N 3.05Å; I284-L287 PolarHBondContact O-N 2.9Å; I284-T288 WeakPolarHBondContact O-CB 3.33Å; I284-T288 PolarHBondContact O-N 3.38Å; I284-T288 PolarHBondContact O-OG1 3.37Å
285L59.2Low54Low79 Ų79110.5 Ų110.541%0.41463%0.631SS.*Hα-helixtrans-60.6-32.8172.6-79.7160.2000112.8D281 Q289D281-L285 PolarHBondContact O-N 3.28Å; L285-Q289 VanDerWaalsContact O-CG 3.3Å; L285-Q289 WeakPolarHBondContact O-CG 3.48Å; L285-Q289 PolarHBondContact O-N 2.9Å; L285-Q289 PolarHBondContact O-NE2 3.47Å
286A57.7Low53Low69 Ų69114.6 Ų114.657%0.5764%0.643SS**Hα-helixtrans-75.7-29.5176.200000113.6S282 L283 I284S282-A286 VanDerWaalsContact O-CB 3.31Å; S282-A286 WeakPolarHBondContact O-CB 3.32Å; S282-A286 PolarHBondContact O-N 3.21Å; S282-A286 VanDerWaalsContact O-N 3.14Å; L283-A286 PolarHBondContact O-N 3.05Å; I284-A286 VanDerWaalsContact C-N 3.26Å; I284-A286 PolarHBondContact O-N 3.05Å
287L61.1Low51.7Low143 Ų143115.9 Ų115.975%0.74966%0.655SS**Hα-helixtrans-80.1-18174.6-74.4167000113.4L283 I284L283-L287 PolarHBondContact O-N 3.22Å; L283-L287 VanDerWaalsContact O-N 3.08Å; I284-L287 PolarHBondContact O-N 2.9Å
288T59.2Low50.2Low113 Ų113118.4 Ų118.469%0.69367%0.668SS**SBendtrans-107.63.7-174.9-39.80000113I284I284-T288 WeakPolarHBondContact O-CB 3.33Å; I284-T288 PolarHBondContact O-N 3.38Å; I284-T288 PolarHBondContact O-OG1 3.37Å
289Q51.9Low49.3Very low113 Ų113119.8 Ų119.853%0.52868%0.683SS.*SBendtrans-95.1121.7175.7-85.8169.366.100111.7L285L285-Q289 VanDerWaalsContact O-CG 3.3Å; L285-Q289 WeakPolarHBondContact O-CG 3.48Å; L285-Q289 PolarHBondContact O-N 2.9Å; L285-Q289 PolarHBondContact O-NE2 3.47Å
290D52.6Low48.3Very low140 Ų140120.7 Ų120.775%0.74968%0.68SS**  trans-54144.6163.1-91.3-48.3000110.5S292D290-S292 PolarHBondContact O-N 2.59Å
291P43.3Very low46.9Very low137 Ų137121.1 Ų121.189%0.8969%0.691SS**SBendtrans-73.830.1-168.931.1-37.6000115.1
292S41.8Very low45.6Very low87 Ų87123.6 Ų123.661%0.60870%0.699SS**  trans-140.570.8-176.964.90000114D290D290-S292 PolarHBondContact O-N 2.59Å
293N42.6Very low44Very low147 Ų147125.1 Ų125.179%0.78671%0.705SS**  173.5138.9129.2-88.7-45.8000112.2
294P40.6Very low42.6Very low111 Ų111125.4 Ų125.472%0.72171%0.707SS**  trans-90.2134179.433.6-33000113.6
295P38.4Very low41Very low117 Ų117127.5 Ų127.576%0.7672%0.723SS**  trans-76.4163.2173.831.1-34.4000113.2
296K35.7Very low39.6Very low206 Ų206129.9 Ų129.990%0.89674%0.741SS**  trans-117.1169.1-178.7-67.2176.3-176.7170.20111.9
297T35.8Very low38.3Very low134 Ų134134.7 Ų134.782%0.82275%0.752SS**  trans-77.6134.3-16751.70000116.4
298L31.8Very low36.7Very low147 Ų147135.6 Ų135.677%0.7776%0.757SS**  32.1128127.5-164.959.3000118.6
299P41Very low35.1Very low126 Ų126133.8 Ų133.882%0.81875%0.753SS**  -152.5-171.182.441.5-20.3000118.6
300K34.3Very low34.1Very low173 Ų173134.2 Ų134.275%0.75277%0.769SS**  trans-97.6152.4-164.1-54.6173.2177.6-179.60116.1
301S27.6Very low32.8Very low109 Ų109131.3 Ų131.376%0.76276%0.764SS**  trans-155.8147.8152.8-159.80000108.6
302H26.9Very low32.1Very low140 Ų140131.9 Ų131.965%0.64876%0.759SS**  cis102.41187-56.2-52.2000117.3
303T26.4Very low31.5Very low125 Ų125136.6 Ų136.677%0.76777%0.771SS**  trans65.4157.1162.662.70000119.3
304N27.9Very low30.7Very low140 Ų140135.4 Ų135.475%0.74978%0.775SS**  cis-168.2158.7-23.5-100.9-3.7000111.1
305T24.5Very low29.9Very low121 Ų121135.4 Ų135.474%0.74277%0.773SS**  trans39.1133.8143.1-41.50000122.6
306T31.5Very low29.3Very low129 Ų129137.9 Ų137.979%0.79178%0.776SS**  171.5153.9109.5-57.40000112.8
307E29.5Very low28.9Very low171 Ų171134.9 Ų134.980%0.79977%0.77SS**  trans-89.8179-177.5-49.3170.8112.300114.9
308L28Very low28.5Very low162 Ų162138.7 Ų138.785%0.84878%0.775SS**  trans136.9151.3138.4-71.9173.1000112.8
309A25.7Very low28.3Very low74 Ų74141 Ų14161%0.61278%0.779SS**  cis-175.8154.4-36.300000110
310S29.6Very low28.4Very low123 Ų123140 Ų14086%0.8677%0.773SS**  trans66.7159.1153.7-68.20000119.8
311A26.6Very low28Very low79 Ų79140.6 Ų140.665%0.65378%0.778SS**  cis-170.3178.1-23.600000110.9
312L28Very low28.1Very low149 Ų149144.7 Ų144.778%0.7878%0.782SS**  trans73.2116.2166.9-45.2-178.6000115.7
313Q28.6Very low28.6Very low185 Ų185143.3 Ų143.386%0.86479%0.786SS**  cis74.9110.649.9-63.8-171.527.100116
314S25.7Very low28.5Very low123 Ų123141.8 Ų141.886%0.8678%0.779SS**  trans-163.6147.6133.6-163.60000113.8
315T24.5Very low28.4Very low111 Ų111143.7 Ų143.768%0.68178%0.781SS**  trans-73.8155.8-167.7580000117.2
316M26Very low28.5Very low168 Ų168143.8 Ų143.883%0.82878%0.781SS**  -178.8158.5108.2-103.3-66.4166.200114.3
317N26.5Very low28.3Very low143 Ų143141 Ų14177%0.76577%0.767SS**  trans-100.4149.3-178.4-71.4-67.9000113.2
318K28.7Very low28.4Very low214 Ų214142.7 Ų142.793%0.9377%0.772SS**  trans179.1152.6130.5-99.8160.3-173.5-179.40114.9
319K26.2Very low28.4Very low197 Ų197138.5 Ų138.586%0.85777%0.768SS**  trans-166.4165.7170-135-170.2-177.11760106.8
320P44Very low28.6Very low105 Ų105142.6 Ų142.668%0.68278%0.779SS**  cis-115.7-173.4-22.940.7-27.2000111.6
321E24.9Very low28.7Very low185 Ų185143.8 Ų143.886%0.86477%0.774SS**  -178.9176.4128-102.5171.3-163.200113.8
322K30.3Very low28.8Very low195 Ų195148 Ų14885%0.84878%0.781SS**  trans-127.3-179.6177.5-69.1-172.1177-1780107
323P38.1Very low29Very low111 Ų111147.7 Ų147.772%0.72178%0.78SS**  cis-153.1-174.717.844.6-22.7000119.7
324C24.3Very low29.2Very low93 Ų93146.8 Ų146.863%0.62878%0.78SS**  trans83.2132.7138.9-89.40000124
325K25.8Very low29.6Very low180 Ų180146.9 Ų146.978%0.78378%0.78SS**  trans75150.5142-66.1165.4-170.4172.10116.4
326T25.9Very low30.2Very low122 Ų122147.6 Ų147.675%0.74879%0.786SS**  cis-167.9159.6513.30000107.9
327S28.1Very low30.9Very low72 Ų72149.2 Ų149.250%0.50379%0.788SS.*  cis178.2162.2-16.845.60000110.5
328F30.1Very low31.7Very low206 Ų206147.9 Ų147.990%0.90479%0.788SS**  trans69.4152.4177.5-42.8-73.7000114.7
329G28.9Very low32.1Very low73 Ų73147.5 Ų147.575%0.75379%0.786SS**  cis-177.7-177.9-3.200000107.9
330L28.9Very low33Very low160 Ų160145.2 Ų145.284%0.83879%0.788SS**  cis-164.7178.8-5.6-161.369.9000107.8
331L32.6Very low32.6Very low148 Ų148151.9 Ų151.978%0.77580%0.8SS**  trans72147.7174-54.6173.6000116.6
332Q29.7Very low33.3Very low168 Ų168149.3 Ų149.379%0.78580%0.797SS**  cis-157.7157.2-27.8-174.4160.41500109.1
333D31.5Very low34Very low143 Ų143151.9 Ų151.977%0.76580%0.801SS**  trans-57.4151.8176.1-63.6-86.1000114.9
334L33Very low33.8Very low165 Ų165152.1 Ų152.186%0.86481%0.805SS**  173.9104.6106.2-89.6169.7000112.3
335C34Very low34.4Very low126 Ų126153.3 Ų153.385%0.85181%0.81SS**PPolyproline II helixtrans-94.5120.4172.3-67.70000112.1
336P36.9Very low35Very low125 Ų125154.5 Ų154.581%0.81282%0.816SS**PPolyproline II helixtrans-79.3125.8174.230.6-32.8000112.3
337K39.8Very low36Very low203 Ų203157.9 Ų157.988%0.88382%0.82SS**PPolyproline II helixtrans-102.8128.6172.4-72.5177.8178.6172.60112.2
338P43.5Very low36.7Very low115 Ų115163 Ų16375%0.74784%0.841SS**  trans-123.9117.6139.929.3-15.6000109.9
339K36.8Very low37.4Very low206 Ų206162 Ų16290%0.89684%0.839SS**  67.4122.583.2-72.5-174.1177.4179.70113.7
340T46Very low38.2Very low148 Ų148163.8 Ų163.891%0.90884%0.84SS**  trans-78.1143.6-174.942.10000113.3
341R35Very low38.8Very low246 Ų246162.1 Ų162.193%0.92883%0.832SS**  trans-148.4157.1160.2-148.2172.182.7162.12.4111.3
342T40.8Very low39.7Very low130 Ų130160.5 Ų160.580%0.79883%0.83SS**  trans-78.6145.8-167.819.60000115.5
343R44.7Very low40Very low250 Ų250160.4 Ų160.494%0.94383%0.829SS**  trans41.9106.6147.3-169.7-174.9-171.3-126.75.2117.8
344S34.2Very low40.5Very low115 Ų115162.8 Ų162.880%0.80483%0.833SS**  trans-146.7165.9151.6-161.40000111.6
345T35.9Very low40.8Very low118 Ų118163 Ų16372%0.72483%0.83SS**  trans-76.1140.7-174.250.60000113.2
346F39.1Very low40.9Very low206 Ų206163.7 Ų163.790%0.90483%0.83SS**  trans-58.8137.6170.4-56.3-86.3000112.1
347K46.4Very low40.7Very low192 Ų192166.1 Ų166.184%0.83583%0.833SS**  trans-121.9130.6158.6-75.1-69.1-173.7176.80106.7
348L42.1Very low40.5Very low179 Ų179163.5 Ų163.594%0.93783%0.828SS**PPolyproline II helixtrans-80.1126.8168.7-134.274.7000107.7
349E46Very low40Very low185 Ų185165.2 Ų165.286%0.86483%0.831SS**PPolyproline II helixtrans-89.5146.3172.9-168.3160.4-138.300109.3N351E349-N351 PolarHBondContact O-N 2.56Å
350S44.6Very low40.1Very low112 Ų112164.1 Ų164.178%0.78383%0.826SS**PPolyproline II helixtrans-75.2126.2-176.7-63.20000111.1
351N41.6Very low39.4Very low125 Ų125165.6 Ų165.667%0.66882%0.823SS**PPolyproline II helixtrans-61.7120.9-177.4-171.3-7.9000111E349 H353E349-N351 PolarHBondContact O-N 2.56Å; N351-H353 PolarHBondContact O-N 2.78Å
352P52.7Low39.2Very low113 Ų113158.3 Ų158.373%0.73482%0.815SS**SBendtrans-75.714.3-166.730.4-38.2000115.9F354P352-F354 PolarHBondContact O-N 3.18Å
353H36.3Very low38.7Very low166 Ų166155.9 Ų155.977%0.76981%0.808SS**  trans-94.315.7-169.1-142.154.2000115.9N351N351-H353 PolarHBondContact O-N 2.78Å
354F41.2Very low38.1Very low194 Ų194153.3 Ų153.385%0.85180%0.804SS**  trans-111.989.9172.2-69.3-74.7000111.1P352P352-F354 PolarHBondContact O-N 3.18Å
355Q39.6Very low37.9Very low168 Ų168153.7 Ų153.779%0.78581%0.806SS**  trans-109.699.7166.6-67.2-17214.600109.6M357Q355-M357 PolarHBondContact O-N 2.81Å
356T35.5Very low37.6Very low141 Ų141151.7 Ų151.787%0.86581%0.81SS**  trans-73.9109.317048.80000109.6L358T356-L358 PolarHBondContact O-N 3.45Å
357M32.2Very low37Very low177 Ų177147.1 Ų147.187%0.87280%0.803SS**  trans-72.2104.9173.1-75.9-121.9140.600111Q355Q355-M357 PolarHBondContact O-N 2.81Å
358L36.3Very low36.2Very low147 Ų147143.9 Ų143.977%0.7780%0.8SS**  trans-142.9136156.6-100.7170.7000110.3T356T356-L358 PolarHBondContact O-N 3.45Å
359D32.4Very low35.4Very low151 Ų151139.5 Ų139.581%0.80779%0.789SS**  trans64127.9163.2-52-32.2000120.8
360K39.2Very low34.6Very low183 Ų183137.4 Ų137.480%0.79679%0.789SS**  trans-108.7148169.3-71.3-178.5174.8-1760109.8
361E32.1Very low33.9Very low180 Ų180140.3 Ų140.384%0.84179%0.79SS**  trans56.6137.9149.7-72.2178.896.900118.7
362A30.4Very low34.1Very low92 Ų92138.9 Ų138.976%0.7679%0.787SS**  cis-157.7-175.9-6.500000107.1
363A31.1Very low32.9Very low80 Ų80143.4 Ų143.466%0.66180%0.796SS**  cis-157.4164.19.500000111.7
364K31.4Very low32.7Very low196 Ų196140.6 Ų140.685%0.85280%0.795SS**  trans35.8112.5145.3-65174.2176.7174.80119.4
365S30.1Very low32.1Very low122 Ų122140.6 Ų140.685%0.85379%0.794SS**  163.8147.997.7-71.60000114.8
366G28.7Very low31.6Very low77 Ų77137.3 Ų137.379%0.79479%0.79SS**  trans86.897.3133.300000120.3
367S27.2Very low31.1Very low109 Ų109136 Ų13676%0.76278%0.782SS**  trans-57156145.7-175.70000109.8
368T29.5Very low30.8Very low125 Ų125135.9 Ų135.977%0.76778%0.779SS**  cis-168.3150.143.5-40.10000112.2
369A25.8Very low30.5Very low86 Ų86138.2 Ų138.271%0.71179%0.786SS**  trans21.3173.6152.500000125.4
370V29.6Very low30.2Very low142 Ų142138.8 Ų138.886%0.86178%0.784SS**  trans98.795.7162.4-170.10000118
371Q30.1Very low30.3Very low173 Ų173135.5 Ų135.581%0.80878%0.781SS**  trans-75.9175.9151.1-75.3-92.115.900110.7
372P45.5Very low30.1Very low95 Ų95130.5 Ų130.562%0.61777%0.771SS**  cis-130.7177.4-29.837.6-23.5000112.3
373K26.1Very low29.9Very low208 Ų208131.7 Ų131.790%0.90477%0.769SS**  -173.8148.1121-105.4154.4-172.5164.50115.3
374S32.3Very low29.9Very low107 Ų107134.4 Ų134.475%0.74877%0.771SS**  trans-106.9158.3170.752.30000111.7
375K28.5Very low29.8Very low193 Ų193133.6 Ų133.684%0.83977%0.767SS**  trans-176.4123.8153.3-95.6153.2-177-165.50104.6
376S29Very low29.6Very low100 Ų100133 Ų13370%0.69976%0.759SS**  611316296.70000110.5
377T26.5Very low29.4Very low113 Ų113136.5 Ų136.569%0.69376%0.759SS**  cis-158.8137.930.2-78.40000110.9
378E24.8Very low29.5Very low174 Ų174136.8 Ų136.881%0.81376%0.761SS**  trans26.1122.7140-169.3178.3-157.400120.8
379Q29.6Very low29.5Very low196 Ų196137.6 Ų137.692%0.91676%0.761SS**  trans-158.3109.9137.9-114.2167.226.300113.2
380Q26.9Very low30Very low163 Ų163138.7 Ų138.776%0.76276%0.761SS**  trans-84.4167.7146.7-86.1-87.9-1700107.1
381P41.5Very low29.8Very low114 Ų114139.7 Ų139.774%0.7476%0.756SS**  cis-146.516131.842.1-22.4000119.9
382A26.5Very low29.6Very low76 Ų76136.5 Ų136.563%0.62875%0.751SS**  trans65.4168.7148.200000116.8
383T27.6Very low28.7Very low117 Ų117138 Ų13872%0.71875%0.75SS**  cis-153.5153.924.511.90000112.8
384I30.7Very low28.9Very low136 Ų136136.1 Ų136.170%0.69774%0.742SS**  trans71.5105.5138.1-68.9170.1000120.2
385K30.1Very low28.9Very low180 Ų180137 Ų13778%0.78374%0.743SS**  70.2118.4126.6-66-173.1-169176.30122.9
386T24.5Very low29.1Very low109 Ų109133 Ų13367%0.66974%0.735SS**  90.9115.3116.9-63.60000120.1
387N24.7Very low29.3Very low151 Ų151135.8 Ų135.881%0.80774%0.742SS**  trans41.5114.8145.2-53.13.5000120.3
388S30.2Very low29.6Very low114 Ų114133.7 Ų133.780%0.79774%0.743SS**  -158.1130.5104.457.90000111.9
389N29.6Very low30.2Very low143 Ų143132.7 Ų132.777%0.76575%0.748SS**  trans-88.5144.8158.4-178.927.1000107.8
390P36.6Very low30.5Very low109 Ų109132.2 Ų132.271%0.70874%0.743SS**  -134154.2128.936.7-27.6000114.9
391Q24.8Very low30.8Very low162 Ų162131 Ų13176%0.75774%0.74SS**  trans-54.5145.7167.3-73.8-150.12.300112.4
392C25.5Very low30.4Very low106 Ų106134 Ų13472%0.71674%0.742SS**  94.2161.252-154.90000112.4
393E27Very low30.7Very low127 Ų127138.4 Ų138.459%0.59375%0.75SS**  trans78.5108.4-179.9-48.9-100.1108.700114.6
394K31.1Very low31Very low168 Ų168141.4 Ų141.473%0.7376%0.755SS**  77145.297.1-67169.7-171158.30112.7
395V31Very low31.1Very low126 Ų126140.1 Ų140.176%0.76476%0.759SS**  cis-152151.842.3165.60000111.7
396T32.5Very low31.4Very low110 Ų110136.3 Ų136.368%0.67576%0.755SS**  trans-19.1161.3165.467.10000120.5
397N33.4Very low32.1Very low158 Ų158138.5 Ų138.585%0.84576%0.761SS**  cis-148.2168.522.8-70.4-80.2000109.9
398G32.1Very low33Very low69 Ų69137.7 Ų137.771%0.71176%0.761SS**  cis155.4145.3-6.600000112.4
399V38Very low33.8Very low153 Ų153139.9 Ų139.993%0.92776%0.757SS**  trans-159.1158161.3138.30000107.2
400K36.1Very low34.5Very low185 Ų185140.5 Ų140.580%0.80476%0.76SS**  trans-138.2132.7-165.3-141.3177.8-173.2178.80106.8
401I34.3Very low35.1Very low139 Ų139141.4 Ų141.471%0.71376%0.763SS**  -174.1131.379.5-97.4171.8000111.3
402F32.6Very low36.2Very low177 Ų177137.9 Ų137.978%0.77676%0.757SS**  trans65.3147.7145.5-78.2-109.4000125.8
403Q32.6Very low37.5Very low168 Ų168140.6 Ų140.679%0.78576%0.764SS**  trans66.4139.4159.8-73172-6.700120.8
404Q32.6Very low38.9Very low179 Ų179137.9 Ų137.984%0.83676%0.759SS**  cis-175.3106.9-34.9164.5168.3-2.200107
405S33.3Very low40.1Very low110 Ų110136 Ų13677%0.76976%0.756SS**  trans-140.8105.4-179.6430000113.3L407S405-L407 PolarHBondContact O-N 2.89Å
406S36.3Very low41.3Very low100 Ų100141.6 Ų141.670%0.69976%0.764SS**  trans36.580.5152.560.60000117.9V408S406-V408 PolarHBondContact O-N 2.98Å; S406-V408 VanDerWaalsContact O-N 3.08Å
407L40.4Very low42.3Very low154 Ų154142.3 Ų142.381%0.80676%0.764SS**  trans-62.5102.2144.6174.268.6000107.4S405 K409S405-L407 PolarHBondContact O-N 2.89Å; L407-K409 HydrophobicContact CG-CB 4.47Å; L407-K409 PolarHBondContact O-N 3.41Å
408V43.2Very low43.6Very low134 Ų134139.3 Ų139.381%0.81275%0.747SS**  trans-74.782.7170-176.30000107.7S406S406-V408 PolarHBondContact O-N 2.98Å; S406-V408 VanDerWaalsContact O-N 3.08Å
409K47.1Very low45Very low161 Ų161138.5 Ų138.570%0.774%0.74SS**  trans-68.2140.7169.7-154.7171.5-175.1-178.40107.8L407 V411L407-K409 HydrophobicContact CG-CB 4.47Å; L407-K409 PolarHBondContact O-N 3.41Å; K409-V411 PolarHBondContact O-N 3.26Å
410D44.5Very low46.2Very low155 Ų155136.7 Ų136.783%0.82973%0.725SS**  trans-60.6108.6170.2-82.6-52.9000108.8S412D410-S412 PolarHBondContact O-N 3.06Å
411V47.6Very low47.7Very low129 Ų129133.7 Ų133.778%0.78272%0.717SS**  trans-82.592.7164.5-177.30000105.4K409K409-V411 PolarHBondContact O-N 3.26Å
412S47.9Very low49.8Very low88 Ų88131.7 Ų131.762%0.61571%0.708SS**  trans-54.7155.6175.2-58.30000111.5D410 S414D410-S412 PolarHBondContact O-N 3.06Å; S412-S414 PolarHBondContact O-N 3.21Å
413D54.8Low52.1Low162 Ų162126 Ų12687%0.86669%0.693SS**G310 helixtrans-61.713.8177.2-95-38.6000115.1L415D413-L415 VanDerWaalsContact C-N 3.32Å; D413-L415 PolarHBondContact O-N 3.34Å
414S55.9Low54.5Low71 Ų71122.9 Ų122.950%0.49768%0.682SS.*G310 helixtrans-79.4-4.5-173.8-163.80000114.6S412 W416 D417S412-S414 PolarHBondContact O-N 3.21Å; S414-W416 PolarHBondContact O-N 3.38Å; S414-D417 PolarHBondContact O-N 3.01Å
415L55.5Low56.8Low128 Ų128119.3 Ų119.367%0.6767%0.668SS**G310 helixtrans-74.1-14-176.4-173.658.8000113.5D413D413-L415 VanDerWaalsContact C-N 3.32Å; D413-L415 PolarHBondContact O-N 3.34Å
416W57.2Low59.2Low244 Ų244121.8 Ų121.892%0.92466%0.661SS**G310 helixtrans-111.814.2174.7-56.9100.6000112.2S414S414-W416 PolarHBondContact O-N 3.38Å
417D52.7Low61.5Low125 Ų125122.7 Ų122.767%0.66866%0.655SS**  trans-12737.9-178.7-163.824.7000110.3S414 G419S414-D417 PolarHBondContact O-N 3.01Å; D417-G419 PolarHBondContact O-N 3.09Å
418N61.9Low63.8Low94 Ų94119.6 Ų119.650%0.50364%0.642SS.*  trans-78.391163.1-81.536.2000107.5D420 D421N418-D420 PolarHBondContact O-N 2.78Å; N418-D421 PolarHBondContact O-N 2.81Å
419G59.8Low65.9Low53 Ų53116.5 Ų116.555%0.54663%0.625SS.*THydrogen-bonded Turntrans-61.39.6-17900000116.6D417D417-G419 PolarHBondContact O-N 3.09Å
420D63Low67.9Low115 Ų115113 Ų11362%0.61561%0.614SS**Hα-helixtrans-75.4-27.8170.9-57.3-52.1000112N418 D422 A423 L424N418-D420 PolarHBondContact O-N 2.78Å; D420-D422 VanDerWaalsContact C-N 3.34Å; D420-D422 PolarHBondContact O-N 2.62Å; D420-A423 WeakPolarHBondContact O-CB 3.4Å; D420-A423 PolarHBondContact O-N 2.9Å; D420-A423 VanDerWaalsContact O-N 3.09Å; D420-L424 PolarHBondContact O-N 3.38Å
421D67.8Low69.8Low121 Ų121107.4 Ų107.465%0.64759%0.588SS**Hα-helixtrans-63.3-38.7179.5-80-14.3000111.9N418 A423 L424 L425N418-D421 PolarHBondContact O-N 2.81Å; D421-A423 VanDerWaalsContact C-N 3.29Å; D421-A423 PolarHBondContact O-N 3.31Å; D421-L424 PolarHBondContact O-N 2.88Å; D421-L425 PolarHBondContact O-N 2.91Å
422D79.8Confident71.7Confident98 Ų98105.9 Ų105.952%0.52458%0.578SS.*Hα-helixtrans-63.8-33.7174-83.2-24.2000111.7D420 L424 L425 Y426D420-D422 VanDerWaalsContact C-N 3.34Å; D420-D422 PolarHBondContact O-N 2.62Å; D422-L424 VanDerWaalsContact C-N 3.35Å; D422-L424 PolarHBondContact O-N 3.06Å; D422-L425 WeakPolarHBondContact O-CB 3.39Å; D422-L425 PolarHBondContact O-N 2.66Å; D422-Y426 HydrophobicContact CB-CE2 4.3Å; D422-Y426 WeakPolarHBondContact O-CD2 3.33Å; D422-Y426 PolarHBondContact O-N 2.69Å
423A80.6Confident73.4Confident56 Ų56107.2 Ų107.246%0.46358%0.575SS.*Hα-helixtrans-66.6-36.7179.200000112D420 D421 Y426 Q427D420-A423 WeakPolarHBondContact O-CB 3.4Å; D420-A423 PolarHBondContact O-N 2.9Å; D420-A423 VanDerWaalsContact O-N 3.09Å; D421-A423 VanDerWaalsContact C-N 3.29Å; D421-A423 PolarHBondContact O-N 3.31Å; A423-Y426 PolarHBondContact O-N 3.25Å; A423-Q427 WeakPolarHBondContact O-CB 3.5Å; A423-Q427 PolarHBondContact O-N 3Å
424L82.2Confident74.6Confident103 Ų103106.4 Ų106.454%0.53956%0.559SS.*Hα-helixtrans-66.4-39.4171.7-64177.2000111.4D420 D421 D422 Q427 V428D420-L424 PolarHBondContact O-N 3.38Å; D421-L424 PolarHBondContact O-N 2.88Å; D422-L424 VanDerWaalsContact C-N 3.35Å; D422-L424 PolarHBondContact O-N 3.06Å; L424-Q427 PolarHBondContact O-N 3.06Å; L424-V428 WeakPolarHBondContact O-CG2 3.5Å; L424-V428 PolarHBondContact O-N 2.9Å
425L81.7Confident75.7Confident104 Ų104108.2 Ų108.255%0.54557%0.567SS.*Hα-helixtrans-63.6-43.7175.6-177.460000111.7D421 D422 V428 C429D421-L425 PolarHBondContact O-N 2.91Å; D422-L425 WeakPolarHBondContact O-CB 3.39Å; D422-L425 PolarHBondContact O-N 2.66Å; L425-V428 PolarHBondContact O-N 3.39Å; L425-C429 PolarHBondContact O-N 3.36Å; L425-C429 PolarHBondContact O-SG 2.96Å; L425-C429 VanDerWaalsContact O-SG 3.41Å
426Y83.9Confident76.7Confident163 Ų163106.8 Ų106.864%0.63957%0.568SS**Hα-helixtrans-60.5-44.3171.8-73.6-61.9000111.9D422 A423 V428 C429 D430D422-Y426 HydrophobicContact CB-CE2 4.3Å; D422-Y426 WeakPolarHBondContact O-CD2 3.33Å; D422-Y426 PolarHBondContact O-N 2.69Å; A423-Y426 PolarHBondContact O-N 3.25Å; Y426-V428 VanDerWaalsContact C-N 3.29Å; Y426-V428 PolarHBondContact O-N 3.44Å; Y426-C429 PolarHBondContact O-N 3.24Å; Y426-C429 VanDerWaalsContact O-N 3.17Å; Y426-D430 PolarHBondContact O-N 3.29Å
427Q83.9Confident77.2Confident119 Ų119100.7 Ų100.756%0.55655%0.553SS**Hα-helixtrans-61.9-35.7177-172.5179.54.600112.5A423 L424 S431A423-Q427 WeakPolarHBondContact O-CB 3.5Å; A423-Q427 PolarHBondContact O-N 3Å; L424-Q427 PolarHBondContact O-N 3.06Å; Q427-S431 VanDerWaalsContact O-CB 3.32Å; Q427-S431 WeakPolarHBondContact O-CB 3.27Å; Q427-S431 PolarHBondContact O-N 3Å; Q427-S431 PolarHBondContact O-OG 3.14Å
428V88.9Confident77.7Confident88 Ų8898.3 Ų98.353%0.53355%0.547SS..Hα-helixtrans-69.2-44.2173.3170.40000111L424 L425 Y426 S431 V432L424-V428 WeakPolarHBondContact O-CG2 3.5Å; L424-V428 PolarHBondContact O-N 2.9Å; L425-V428 PolarHBondContact O-N 3.39Å; Y426-V428 VanDerWaalsContact C-N 3.29Å; Y426-V428 PolarHBondContact O-N 3.44Å; V428-S431 WeakPolarHBondContact O-CB 3.38Å; V428-S431 PolarHBondContact O-N 2.97Å; V428-S431 VanDerWaalsContact O-N 3.12Å; V428-V432 WeakPolarHBondContact O-CG2 3.42Å; V428-V432 PolarHBondContact O-N 2.96Å
429C87.9Confident77.2Confident70 Ų70102.2 Ų102.247%0.47356%0.562SS.*Hα-helixtrans-58.2-49.5174.3-740000112.1L425 Y426 S431 V432 E433L425-C429 PolarHBondContact O-N 3.36Å; L425-C429 PolarHBondContact O-SG 2.96Å; L425-C429 VanDerWaalsContact O-SG 3.41Å; Y426-C429 PolarHBondContact O-N 3.24Å; Y426-C429 VanDerWaalsContact O-N 3.17Å; C429-S431 PolarHBondContact O-N 3.32Å; C429-V432 PolarHBondContact O-N 2.9Å; C429-E433 WeakPolarHBondContact O-CB 3.47Å; C429-E433 PolarHBondContact O-N 3.29Å
430D88.3Confident76.5Confident86 Ų86105.7 Ų105.746%0.4658%0.575SS.*Hα-helixtrans-58.4-35.1174.7-73.11.4000111.6Y426 R434Y426-D430 PolarHBondContact O-N 3.29Å; D430-R434 WeakPolarHBondContact O-CB 3.34Å; D430-R434 VanDerWaalsContact O-CG 3.25Å; D430-R434 WeakPolarHBondContact O-CG 3.41Å; D430-R434 PolarHBondContact O-N 2.8Å; D430-R434 PolarHBondContact O-NH1 2.96Å
431S84.6Confident75.4Confident39 Ų39107.7 Ų107.727%0.27359%0.585SS.*Hα-helixtrans-72.5-40.6179.6-58.90000112Q427 V428 C429 R434 V435Q427-S431 VanDerWaalsContact O-CB 3.32Å; Q427-S431 WeakPolarHBondContact O-CB 3.27Å; Q427-S431 PolarHBondContact O-N 3Å; Q427-S431 PolarHBondContact O-OG 3.14Å; V428-S431 WeakPolarHBondContact O-CB 3.38Å; V428-S431 PolarHBondContact O-N 2.97Å; V428-S431 VanDerWaalsContact O-N 3.12Å; C429-S431 PolarHBondContact O-N 3.32Å; S431-R434 PolarHBondContact O-N 2.92Å; S431-R434 PolarHBondContact OG-NH2 3.41Å; S431-V435 WeakPolarHBondContact O-CG2 3.44Å; S431-V435 PolarHBondContact O-N 3.23Å
432V88.4Confident74.3Confident96 Ų96111.2 Ų111.258%0.58260%0.598SS**Hα-helixtrans-66.5-40.2172.41730000110.8V428 C429 V435 S436V428-V432 WeakPolarHBondContact O-CG2 3.42Å; V428-V432 PolarHBondContact O-N 2.96Å; C429-V432 PolarHBondContact O-N 2.9Å; V432-V435 PolarHBondContact O-N 2.96Å; V432-S436 VanDerWaalsContact O-CB 3.28Å; V432-S436 WeakPolarHBondContact O-CB 3.47Å; V432-S436 PolarHBondContact O-N 3.28Å
433E83.4Confident72.2Confident116 Ų116110.8 Ų110.854%0.54261%0.608SS.*Hα-helixtrans-64.5-44.6175.1179.7165.9-166.800111.6C429 V435 S436 N437C429-E433 WeakPolarHBondContact O-CB 3.47Å; C429-E433 PolarHBondContact O-N 3.29Å; E433-V435 PolarHBondContact O-N 3.04Å; E433-S436 PolarHBondContact O-N 3.39Å; E433-N437 WeakPolarHBondContact CG-ND2 3.47Å; E433-N437 VanDerWaalsContact O-CB 3.29Å; E433-N437 WeakPolarHBondContact O-CB 3.44Å; E433-N437 PolarHBondContact O-N 3.32Å; E433-N437 PolarHBondContact O-ND2 2.69Å; E433-N437 PolarHBondContact OE1-ND2 2.89Å
434R80.3Confident69.8Low145 Ų145112.6 Ų112.655%0.54762%0.623SS.*Hα-helixtrans-59.5-43.8174.7-74.9-172.8-44.9-87.7-0.6112.1D430 S431 N437 S438D430-R434 WeakPolarHBondContact O-CB 3.34Å; D430-R434 VanDerWaalsContact O-CG 3.25Å; D430-R434 WeakPolarHBondContact O-CG 3.41Å; D430-R434 PolarHBondContact O-N 2.8Å; D430-R434 PolarHBondContact O-NH1 2.96Å; S431-R434 PolarHBondContact O-N 2.92Å; S431-R434 PolarHBondContact OG-NH2 3.41Å; R434-N437 PolarHBondContact O-N 2.73Å; R434-S438 WeakPolarHBondContact O-CB 3.47Å; R434-S438 PolarHBondContact O-N 3.13Å; R434-S438 PolarHBondContact O-OG 3.23Å
435V77.4Confident68Low109 Ų109113.4 Ų113.466%0.66164%0.635SS**Hα-helixtrans-67.7-35.9176.91710000111.9S431 V432 E433 S438S431-V435 WeakPolarHBondContact O-CG2 3.44Å; S431-V435 PolarHBondContact O-N 3.23Å; V432-V435 PolarHBondContact O-N 2.96Å; E433-V435 PolarHBondContact O-N 3.04Å; V435-S438 WeakPolarHBondContact CA-OG 3.45Å; V435-S438 PolarHBondContact O-OG 3Å
436S76.3Confident65.8Low98 Ų98118.4 Ų118.469%0.68565%0.652SS**Hα-helixtrans-75.8-24.8177.4-169.60000113.5V432 E433V432-S436 VanDerWaalsContact O-CB 3.28Å; V432-S436 WeakPolarHBondContact O-CB 3.47Å; V432-S436 PolarHBondContact O-N 3.28Å; E433-S436 PolarHBondContact O-N 3.39Å
437N68.6Low63.4Low116 Ų116117.8 Ų117.862%0.6266%0.658SS**Hα-helixtrans-91.1-17.2176.7-74.3-30.1000112.8E433 R434 Q439E433-N437 WeakPolarHBondContact CG-ND2 3.47Å; E433-N437 VanDerWaalsContact O-CB 3.29Å; E433-N437 WeakPolarHBondContact O-CB 3.44Å; E433-N437 PolarHBondContact O-N 3.32Å; E433-N437 PolarHBondContact O-ND2 2.69Å; E433-N437 PolarHBondContact OE1-ND2 2.89Å; R434-N437 PolarHBondContact O-N 2.73Å; N437-Q439 PolarHBondContact O-N 3.12Å; N437-Q439 VanDerWaalsContact O-N 3.15Å
438S62.8Low60.8Low75 Ų75118 Ų11852%0.52467%0.671SS.*  trans-78.989.9171.958.60000111.5R434 V435R434-S438 WeakPolarHBondContact O-CB 3.47Å; R434-S438 PolarHBondContact O-N 3.13Å; R434-S438 PolarHBondContact O-OG 3.23Å; V435-S438 WeakPolarHBondContact CA-OG 3.45Å; V435-S438 PolarHBondContact O-OG 3Å
439Q50.9Low58Low176 Ų176122.3 Ų122.382%0.82269%0.686SS**  trans-62.8145.2155.3-80.7-164.8-69.800109.8N437 D441N437-Q439 PolarHBondContact O-N 3.12Å; N437-Q439 VanDerWaalsContact O-N 3.15Å; Q439-D441 PolarHBondContact O-N 3.36Å
440P46.4Very low55.3Low126 Ų126122 Ų12282%0.81870%0.695SS**  trans-73.3110.6170.230.1-32.3000109.7
441D39.1Very low52.7Low157 Ų157126.7 Ų126.784%0.8471%0.714SS**  trans-88.4108.4174.3-159.68000109.6Q439 A443Q439-D441 PolarHBondContact O-N 3.36Å; D441-A443 PolarHBondContact O-N 2.89Å; D441-A443 VanDerWaalsContact O-N 3.12Å
442E44.2Very low50.3Low196 Ų196134.1 Ų134.192%0.91674%0.741SS**  trans-84.784.2-169.6-169.3-178.8-174.500111.7
443A35.6Very low47.6Very low88 Ų88134 Ų13473%0.72775%0.745SS**  trans-126.7110.2179.700000113.4D441D441-A443 PolarHBondContact O-N 2.89Å; D441-A443 VanDerWaalsContact O-N 3.12Å
444A31Very low45.2Very low94 Ų94138.5 Ų138.578%0.77776%0.762SS**  trans-41.8154.4-176.200000118.7
445P45.4Very low42.7Very low121 Ų121134.9 Ų134.979%0.78677%0.77SS**  trans-76.7161.9-169.932.8-38.8000114.8
446K33.9Very low41.3Very low209 Ų209135.9 Ų135.991%0.90978%0.779SS**  trans-125.3125.1163.8-72.1-171.9177.7179.30111.5
447I33.9Very low39.4Very low149 Ų149138.3 Ų138.376%0.76479%0.789SS**  trans-97.5130.9175.3-62.7166.4000109E449I447-E449 HydrophobicContact CG2-CG 4.42Å
448C29.1Very low37.8Very low124 Ų124138.8 Ų138.884%0.83879%0.792SS**  trans-159.9106.4149.4-900000106
449E31.3Very low36.3Very low178 Ų178146.8 Ų146.883%0.83281%0.81SS**  53.9116.574-76.2-66172.900114.5I447I447-E449 HydrophobicContact CG2-CG 4.42Å
450G29.4Very low35.5Very low65 Ų65148 Ų14867%0.6781%0.807SS**  trans172.939.8-173.300000122.2
451Q35.1Very low35.3Very low183 Ų183150 Ų15086%0.85581%0.806SS**  trans66.4132.3157.4-53.9-177.48.400117.4
452K32.7Very low34.9Very low196 Ų196149.1 Ų149.185%0.85280%0.801SS**  59.4134.964.4-63.9179.1-178.1173.60114.1
453S32.2Very low34.2Very low93 Ų93147.5 Ų147.565%0.6580%0.796SS**  cis-177.9156.5-11.256.10000111.5
454K32.7Very low34Very low211 Ų211153.1 Ų153.192%0.91780%0.798SS**  trans69157.7172.3-48.7177.8-176.7-179.10114.2
455G29.1Very low33.9Very low69 Ų69154.6 Ų154.671%0.71179%0.793SS**  cis-163-175.90.700000111.6
456P48.2Very low33.3Very low130 Ų130154.4 Ų154.484%0.84479%0.793SS**  trans-97.5151.7-161.536.7-35.9000116.2
457V35.8Very low33.1Very low149 Ų149151.8 Ų151.890%0.90379%0.789SS**  trans-143137.5160179.80000110
458D33.8Very low32.9Very low125 Ų125150 Ų15067%0.66879%0.785SS**  trans-94.7136.4176.116629000111.4
459R32.8Very low33.1Very low243 Ų243151.4 Ų151.492%0.91778%0.784SS**  trans-156.3134150.1-143.9168.9-175138.42.1114.8
460R34.3Very low33Very low201 Ų201146.6 Ų146.676%0.75878%0.775SS**  trans-86.5150.3173.8-50.7164.4-175.8-126.42.1111.9
461Q40.5Very low32.9Very low170 Ų170152.4 Ų152.479%0.79478%0.784SS**  162.4131112.6-90.5175.7-2.700115.8
462N32Very low32.7Very low138 Ų138149 Ų14974%0.73878%0.781SS**  trans49.6108.9133.9-57.64.8000123.1
463M28.6Very low32.6Very low162 Ų162145.2 Ų145.280%0.79878%0.779SS**  62.4140.5103.7-159.4-164.6168.800121.3
464R32.5Very low32.4Very low205 Ų205144.7 Ų144.777%0.77479%0.789SS**  trans90.6144.5167.8-56.5-166.8-64.1163.21.2116.2
465D29.2Very low32.2Very low125 Ų125140.3 Ų140.367%0.66878%0.784SS**  cis-164.7-171.2-17.6-95.5-24.7000107.6
466C32Very low32.5Very low117 Ų117142.7 Ų142.779%0.79179%0.79SS**  trans87.680.8162.3-55.40000119.4
467D28.8Very low31.7Very low154 Ų154139.9 Ų139.982%0.82479%0.785SS**  41.3133108.8-80.6-43.8000123.9
468V31.7Very low31.7Very low112 Ų112140.1 Ų140.168%0.67979%0.786SS**  trans85.6118.4130.5170.60000121.1
469N31.7Very low31.6Very low153 Ų153138 Ų13882%0.81879%0.793SS**  trans65.9157.1154.8-68.6-6000119.5
470A29.9Very low31.7Very low77 Ų77130.6 Ų130.664%0.63679%0.785SS**  cis-166.5157.9-28.100000109.5
471E27.6Very low31.7Very low187 Ų187127.7 Ų127.787%0.87478%0.784SS**  trans49113.8157.4-65.1-176.6145.900121.3
472S31.2Very low31.7Very low111 Ų111131.7 Ų131.778%0.77679%0.792SS**  49.5122.7126.3-165.20000121.3
473S30.3Very low31.9Very low118 Ų118135.9 Ų135.983%0.82580%0.797SS**  -173.3150.1105.8-80.10000112.3
474G27.2Very low32.3Very low82 Ų82133.6 Ų133.685%0.84580%0.797SS**  trans-82.7162.7-167.300000116.8
475S29.5Very low32.5Very low118 Ų118129.2 Ų129.283%0.82580%0.798SS**  trans-119.5136.6143.973.40000106.4
476S34.6Very low32.7Very low119 Ų119127.3 Ų127.383%0.83281%0.808SS**  -167.8171.572.744.60000108.4
477G32.4Very low32.7Very low71 Ų71127 Ų12773%0.73281%0.807SS**  cis12780.49.700000110
478V34.6Very low32.9Very low155 Ų155129.7 Ų129.794%0.93981%0.812SS**  trans-28.5129.2177.7179.40000115.8
479G32.1Very low32.8Very low79 Ų79131.6 Ų131.681%0.81482%0.823SS**  trans-160.2109.6170.300000113.4
480A34.8Very low32.9Very low89 Ų89133.1 Ų133.174%0.73682%0.817SS**  trans-95.7159.9-164.100000116.7
481N35.4Very low32.9Very low139 Ų139134.9 Ų134.974%0.74383%0.825SS**  trans66.4115.6152.3-82.5-42.3000120.8
482R39.7Very low33.1Very low254 Ų254134.6 Ų134.696%0.95882%0.817SS**  -149.6169.2107.3-106168.4-135.2-105.21.8110.5
483R37Very low33.3Very low226 Ų226134.8 Ų134.885%0.85382%0.819SS**  trans-120.2153.1-167.3-71.9-178.1168.2-161.6-2.4113
484S35.6Very low33.4Very low114 Ų114137.7 Ų137.780%0.79782%0.824SS**  trans74.8145.2152.7-1290000116
485S36.3Very low33.8Very low114 Ų114141.4 Ų141.480%0.79782%0.824SS**  cis-152.9159.22.7-30.40000110.6
486G34.8Very low33.7Very low84 Ų84144.3 Ų144.387%0.86683%0.829SS**  trans129.750.8153.600000119
487S32.3Very low33.8Very low110 Ų110144.6 Ų144.677%0.76983%0.826SS**  trans-113.3120170.951.50000112.2
488F31.3Very low33.8Very low212 Ų212147.2 Ų147.293%0.9383%0.833SS**  trans-159.657.6166.1-126.8-70.1000114.7
489V31Very low33.7Very low152 Ų152151.1 Ų151.192%0.92183%0.831SS**  trans-119.4144.2157-1770000108.9
490R32.4Very low33.6Very low184 Ų184156.6 Ų156.669%0.69484%0.835SS**  trans-110.593.9-151.8-179.7-164.6-161.6162.96.1111.6Y492R490-Y492 HydrophobicContact CG-CD2 4.42Å; R490-Y492 HydrophobicContact CG-CE2 4.27Å; R490-Y492 PolarHBondContact NE-OH 2.91Å; R490-Y492 PolarHBondContact NH2-OH 2.72Å
491S30.3Very low33.7Very low114 Ų114159.1 Ų159.180%0.79784%0.842SS**  trans-68.8128.1169.5-40.90000110.4
492Y32.5Very low33.6Very low181 Ų181155.8 Ų155.871%0.7184%0.84SS**  trans-109.6104.9169.2-82.6-72.2000109.5R490R490-Y492 HydrophobicContact CG-CD2 4.42Å; R490-Y492 HydrophobicContact CG-CE2 4.27Å; R490-Y492 PolarHBondContact NE-OH 2.91Å; R490-Y492 PolarHBondContact NH2-OH 2.72Å
493S34.9Very low33.4Very low115 Ų115151.7 Ų151.780%0.80484%0.837SS**  trans-124.9126.2169.1-59.30000109
494L33.4Very low33.4Very low179 Ų179152 Ų15294%0.93784%0.84SS**PPolyproline II helixtrans-83.7131.8179.1-69.4168.3000110L496L494-L496 PolarHBondContact O-N 2.69Å
495L34.7Very low33.6Very low161 Ų161154.9 Ų154.984%0.84384%0.841SS**PPolyproline II helixtrans-76.9118.8171.4-78.5168.2000110.4T497L495-T497 HydrophobicContact CB-CG2 4.41Å
496L28.7Very low33.4Very low179 Ų179152.9 Ų152.994%0.93784%0.838SS**PPolyproline II helixtrans-85.1120.9161.5-142.375.1000107.6L494L494-L496 PolarHBondContact O-N 2.69Å
497T35.5Very low33.4Very low125 Ų125160.3 Ų160.377%0.76784%0.84SS**  trans-111.8153.7-17853.20000112.7L495L495-T497 HydrophobicContact CB-CG2 4.41Å
498S32.9Very low33.6Very low125 Ų125161.5 Ų161.587%0.87484%0.838SS**  trans-71.9169.8-168.3-161.80000114.7
499R32.2Very low33.9Very low238 Ų238158.6 Ų158.690%0.89883%0.83SS**  trans-99.3106-172.2178-164.3-169.8-172.64.9110.6
500E30.8Very low34.7Very low194 Ų194156.6 Ų156.691%0.90782%0.82SS**  trans-131.9154.2170.5-165.6142.9-139.400111.6
501T37Very low34.9Very low142 Ų142156.5 Ų156.587%0.87183%0.833SS**  trans-106.2119.5-163.1-54.70000111.6
502G33Very low35.3Very low68 Ų68160.7 Ų160.770%0.70184%0.837SS**  trans-136.3146.5179.200000113.1
503N35.7Very low35.4Very low168 Ų168155.8 Ų155.890%0.89884%0.841SS**  trans-75.8146.7-173-96.8-37.4000114.2Q505N503-Q505 PolarHBondContact O-N 3.43Å
504Y35.7Very low35.4Very low234 Ų234154.1 Ų154.192%0.91884%0.842SS**  trans-84.2102.4167.6-96.7-95.5000111.7
505Q39.8Very low35.8Very low174 Ų174152.1 Ų152.181%0.81383%0.832SS**  trans-140.8136.7150-64.7-172.7-100106.7N503N503-Q505 PolarHBondContact O-N 3.43Å
506G33.8Very low36.3Very low72 Ų72150.6 Ų150.674%0.74283%0.825SS**  cis124.749.920.700000109.7
507W32.8Very low37Very low239 Ų239151 Ų15191%0.90582%0.819SS**  trans-121.4142-171.3-75.794.3000112.3
508N36.8Very low37.1Very low135 Ų135150.7 Ų150.772%0.72282%0.822SS**  trans-140.7145-169.1-109.3-60.5000109.1
509I38.4Very low37.1Very low152 Ų152148 Ų14878%0.77981%0.814SS**  trans69.4156.8157.8-60.3161.5000114
510P46.8Very low37.2Very low109 Ų109144.7 Ų144.771%0.70881%0.813SS**  cis-117.1161.4-1124.4-4.5000115.1
511L38.3Very low37.3Very low182 Ų182140.5 Ų140.595%0.95381%0.805SS**  trans-76.9130.2149.5-80.3164.8000109.3
512K38.4Very low37.3Very low203 Ų203141.7 Ų141.788%0.88380%0.801SS**  trans-105.2116.8177.2-169.8171.5-176.61760110.5
513G33.3Very low37.3Very low77 Ų77143.4 Ų143.479%0.79480%0.802SS**  trans-83.2159.6-179.300000114.5
514G34.8Very low37.4Very low81 Ų81145.1 Ų145.184%0.83580%0.802SS**  trans-121.4144.1164.600000110.1
515N43.1Very low37.9Very low137 Ų137140.2 Ų140.273%0.73380%0.799SS**  trans-137.5-175.1-162.361-18.6000113.4
516N43.9Very low37.4Very low128 Ų128135.7 Ų135.768%0.68480%0.799SS**  trans80.1138.5-177.2-52-83.4000113.2
517K43.7Very low37.5Very low187 Ų187137.9 Ų137.981%0.81380%0.803SS**  cis-147.3171-0.4-62.9-170.2-178.21790109
518S37.1Very low37.5Very low119 Ų119134.9 Ų134.983%0.83280%0.799SS**  cis-173.1145.5-34.7-81.20000108.9
519G33Very low37.5Very low69 Ų69134.9 Ų134.971%0.71180%0.803SS**  trans150.697.8173.800000111.8
520I34Very low37.1Very low168 Ų168130.7 Ų130.786%0.86280%0.797SS**  59.993.991.9-72.5177000111.5
521S34.3Very low37.2Very low107 Ų107132 Ų13275%0.74881%0.806SS**  90.1141.887.1-127.30000112.1
522Q36.2Very low36.8Very low167 Ų167127.3 Ų127.378%0.7880%0.802SS**  cis-143.8164.522.7-53.5-178.19.200114.5
523S33Very low36.5Very low104 Ų104121.3 Ų121.373%0.72780%0.797SS**  trans42.7121.1142.463.20000124.1
524F37.7Very low36.5Very low204 Ų204124.3 Ų124.390%0.89580%0.795SS**  trans-74.5-178142.6-66.1-79000110.6
525P47Very low36.5Very low131 Ų131129.6 Ų129.685%0.85180%0.795SS**  cis-136.5-166.85.944.3-26.1000114.9
526G29.8Very low36.2Very low79 Ų79127.2 Ų127.281%0.81479%0.789SS**  trans167.5113.7160.900000115.4
527S35.3Very low35.8Very low118 Ų118130.6 Ų130.683%0.82580%0.801SS**  trans-146.6131164.8174.10000109.1
528Q32.9Very low35.2Very low176 Ų176125.7 Ų125.782%0.82280%0.803SS**  trans153.1169.4141.9-85.6-163.332.700112.8
529V35.8Very low35.1Very low135 Ų135127.1 Ų127.182%0.81880%0.802SS**  trans65128.6166.6-117.90000119.4
530G29.7Very low35.3Very low63 Ų63132.5 Ų132.565%0.64981%0.81SS**  trans-101-136.3146.500000108.4
531P50.9Low35.3Very low137 Ų137128.2 Ų128.289%0.8980%0.8SS**  cis-123.7-168.5-19.542-27.9000111.4
532G28.7Very low35.5Very low84 Ų84132.3 Ų132.387%0.86681%0.81SS**  trans112.5150.215800000116
533G33Very low35.5Very low77 Ų77133.5 Ų133.579%0.79481%0.812SS**  trans131.586.8-179.900000112.8
534D31.7Very low36.2Very low140 Ų140132.8 Ų132.875%0.74981%0.805SS**  trans-68.2157.7171.9-60.9-80.6000112.3
535F36.6Very low35.9Very low191 Ų191131.7 Ų131.784%0.83880%0.803SS**  171.4118.8107.1-95.1-69.8000114.2
536S36.2Very low35.6Very low87 Ų87131.4 Ų131.461%0.60880%0.801SS**  trans40.3121.6141.861.80000123.2
537H34.2Very low35.5Very low200 Ų200131.6 Ų131.693%0.92680%0.795SS**  54.3123.4128.2-63.694.4000121.5
538G32.6Very low35.4Very low84 Ų84132.1 Ų132.187%0.86679%0.793SS**  trans-172.473.2168.200000114
539N33.9Very low35.4Very low149 Ų149130.5 Ų130.580%0.79780%0.795SS**  trans-89.1125.3175.5175.426.6000111.4
540M37.2Very low35.3Very low181 Ų181135.1 Ų135.189%0.89280%0.798SS**  trans-158.8145.7150.5-101-56.6164.600110
541A34.8Very low35.3Very low78 Ų78139.3 Ų139.365%0.64581%0.811SS**  trans-121.3139.2-178.100000111.9
542M38.4Very low34.3Very low193 Ų193137 Ų13795%0.95180%0.803SS**  trans-148.6155.9161.7-82.1-55.6169.400112.5
543K36Very low34.7Very low192 Ų192142.3 Ų142.384%0.83581%0.805SS**  trans-137.1171.1173.5-111.3-167.7173.6-179.80106.4
544P47.6Very low34.8Very low90 Ų90146.2 Ų146.258%0.58481%0.808SS**  cis-139.5147.2-27.235.3-17.5000115.1
545H32.4Very low35Very low181 Ų181144.7 Ų144.784%0.83881%0.808SS**  trans63.1177.1158.1-55-45.8000116.7
546P39.8Very low35Very low124 Ų124144.3 Ų144.381%0.80581%0.811SS**  cis-132.1-168.5-144-27000116.2
547A28.3Very low34.8Very low84 Ų84144.9 Ų144.969%0.69482%0.815SS**  trans83.8104.7153.300000122.6
548T33Very low35.1Very low129 Ų129144 Ų14479%0.79181%0.812SS**  56.2118.4123.9-51.20000122.3
549T32.4Very low35.3Very low141 Ų141149 Ų14987%0.86581%0.812SS**  -155.6150.3129.2-78.20000110.1
550R33.3Very low35.7Very low233 Ų233147 Ų14788%0.87982%0.817SS**  trans-91.6151.3-177.6-63.4172.4169.8-179.6-3.9112.7
551V30.1Very low35.5Very low150 Ų150142.9 Ų142.991%0.90981%0.811SS**  trans-137.4151.2139.5178.70000108.1
552A30.4Very low35.9Very low88 Ų88149.1 Ų149.173%0.72782%0.824SS**PPolyproline II helixtrans-85.1159.3-170.900000114.5
553Q36.1Very low36.1Very low196 Ų196149 Ų14992%0.91682%0.818SS**PPolyproline II helixtrans-96.3132.9162.2-64.1-168.2-73.100109.8
554N34.9Very low36.8Very low160 Ų160150.8 Ų150.886%0.85682%0.82SS**PPolyproline II helixtrans-87158.3175.1-89.1-10.8000112.4
555S36.7Very low36.6Very low107 Ų107153.3 Ų153.375%0.74883%0.828SS**PPolyproline II helixtrans-62.1145.6-178.547.80000113.9
556M35.8Very low37Very low184 Ų184151 Ų15191%0.90683%0.826SS**  trans-136.1146.5158.5-96.4-64.5112.500111.6
557S33.4Very low37.3Very low99 Ų99150.1 Ų150.169%0.69282%0.823SS**  trans-40.5149.6-167.4-160.60000118.2
558Q39.5Very low37.6Very low181 Ų181154 Ų15485%0.84683%0.832SS**  trans-73.7140.6167.4-61179.3-2.800111.3
559H37.2Very low38Very low188 Ų188153.1 Ų153.187%0.8783%0.832SS**  trans-137.2120.3147.6-85-73.8000109
560A41.4Very low38.4Very low109 Ų109150.9 Ų150.990%0.90183%0.827SS**  trans-80.9136.2179.200000110.9
561A35Very low38.8Very low93 Ų93146.9 Ų146.977%0.76982%0.822SS**  trans-133.2141.9169.700000109.3K563A561-K563 PolarHBondContact O-N 2.94Å
562F41.2Very low39.4Very low209 Ų209146 Ų14692%0.91782%0.817SS**  trans-68.8126.3-166.8-68-93.6000112.8R564F562-R564 PolarHBondContact O-N 3.5Å
563K44.6Very low39.9Very low192 Ų192149.2 Ų149.284%0.83582%0.822SS**  trans-67.2115.7168.4-75.6-174.2174-175.90110A561A561-K563 PolarHBondContact O-N 2.94Å
564R50.6Low40.2Very low229 Ų229146.6 Ų146.686%0.86481%0.814SS**  trans-95.9114.1154.4-72.5179.962.388.4-1.3107.6F562F562-R564 PolarHBondContact O-N 3.5Å
565N42.6Very low40.9Very low143 Ų143147.9 Ų147.977%0.76581%0.812SS**  trans-73.3127.2173.5-57.6-34.5000108.2
566V40.4Very low41.3Very low131 Ų131148.1 Ų148.179%0.79481%0.809SS**  trans-111.9118.8168.5-176.60000106.1
567S46.9Very low41.6Very low106 Ų106148 Ų14874%0.74180%0.804SS**  trans-91.5118.3179.5-59.20000109.7S569S567-S569 PolarHBondContact O-N 2.88Å
568D35Very low41.9Very low166 Ų166149.2 Ų149.289%0.88881%0.807SS**  trans-69.2119166.1-78.8-51.9000109.9
569S40.3Very low42Very low111 Ų111146.3 Ų146.378%0.77680%0.801SS**  trans-100.2103170.9-73.70000109.7S567 I571S567-S569 PolarHBondContact O-N 2.88Å; S569-I571 PolarHBondContact O-N 3.09Å
570A40.8Very low42.4Very low94 Ų94142.4 Ų142.478%0.77780%0.795SS**  trans-65.9125.3176.800000111.3T572A570-T572 PolarHBondContact O-N 3.25Å
571I41.9Very low42.8Very low149 Ų149146.2 Ų146.276%0.76479%0.791SS**  trans-74108.2-176.8-62.5170.8000110.3S569 N573S569-I571 PolarHBondContact O-N 3.09Å; I571-N573 PolarHBondContact O-N 3.28Å
572T43Very low43.4Very low132 Ų132147.9 Ų147.981%0.8179%0.792SS**  trans-83.998.8167.742.60000110.1A570 N574A570-T572 PolarHBondContact O-N 3.25Å; T572-N574 PolarHBondContact O-N 3.24Å
573N41.2Very low44.2Very low154 Ų154142.8 Ų142.882%0.82479%0.788SS**  trans-61.7106178.7-79.3-49.2000111.9I571I571-N573 PolarHBondContact O-N 3.28Å
574N40.8Very low45Very low142 Ų142136.6 Ų136.676%0.75978%0.78SS**  trans-112.8109.3171.6-162.51.1000110.2T572 V576T572-N574 PolarHBondContact O-N 3.24Å; N574-V576 PolarHBondContact O-N 3.27Å
575K51.3Low46.1Very low186 Ų186135.8 Ų135.881%0.80978%0.782SS**  trans-76.385.3-177.4-86.2-173.2172.4-179.30111.4F577K575-F577 PolarHBondContact O-N 3.12Å
576V44.3Very low47.7Very low112 Ų112131.7 Ų131.768%0.67976%0.764SS**  trans-76.1115.2164.3-178.70000108.8N574 V578N574-V576 PolarHBondContact O-N 3.27Å; V576-V578 VanDerWaalsContact C-N 3.34Å; V576-V578 HydrophobicContact CG1-CG2 4.46Å; V576-V578 PolarHBondContact O-N 2.87Å
577F43.1Very low50Low183 Ų183128.7 Ų128.780%0.80375%0.749SS**  trans-71.889.2169.8-76.3-91.9000109.7K575 T579K575-F577 PolarHBondContact O-N 3.12Å; F577-T579 PolarHBondContact O-N 3.38Å; F577-T579 VanDerWaalsContact O-N 3.09Å
578V39.8Very low52Low124 Ų124127.4 Ų127.475%0.75275%0.745SS**  trans-64.6109.6167.91790000107.8V576 S580V576-V578 VanDerWaalsContact C-N 3.34Å; V576-V578 HydrophobicContact CG1-CG2 4.46Å; V576-V578 PolarHBondContact O-N 2.87Å; V578-S580 PolarHBondContact O-N 3.19Å
579T41.5Very low54.6Low119 Ų119127 Ų12773%0.7374%0.738SS**  trans-69.4105.2170.141.70000108F577 K581F577-T579 PolarHBondContact O-N 3.38Å; F577-T579 VanDerWaalsContact O-N 3.09Å; T579-K581 PolarHBondContact O-N 3.07Å
580S44.1Very low57.1Low106 Ų106125.1 Ų125.174%0.74172%0.717SS**  trans-69.676178.444.70000110.6V578 T582V578-S580 PolarHBondContact O-N 3.19Å; S580-T582 PolarHBondContact O-N 3.49Å
581K49.5Very low59.6Low189 Ų189125.3 Ų125.382%0.82270%0.704SS**  trans-60.790.9159.6-72.1-172178.7-176.30107.3T579 A583T579-K581 PolarHBondContact O-N 3.07Å; K581-A583 PolarHBondContact O-N 3.36Å
582T49.1Very low62.1Low129 Ų129121.6 Ų121.679%0.79168%0.683SS**  trans-49.7116.4169.549.20000107.3S580 G584S580-T582 PolarHBondContact O-N 3.49Å; T582-G584 PolarHBondContact O-N 3.08Å
583A57.7Low64.6Low101 Ų101121.3 Ų121.384%0.83567%0.667SS**  trans-58.3110.9-176.600000108.9K581 K585K581-A583 PolarHBondContact O-N 3.36Å; A583-K585 PolarHBondContact O-N 2.65Å
584G61.9Low67.3Low63 Ų63118.1 Ų118.165%0.64965%0.646SS**PPolyproline II helixtrans-56.4140.3169.200000108.3T582 C586T582-G584 PolarHBondContact O-N 3.08Å; G584-C586 PolarHBondContact O-N 3Å; G584-C586 VanDerWaalsContact O-N 3.07Å
585K73.1Confident70Confident211 Ų211116.6 Ų116.692%0.91763%0.632SS**PPolyproline II helixtrans-51.1120.1176.4-58.4176-176.1178.70107.8A583 S587A583-K585 PolarHBondContact O-N 2.65Å; K585-S587 PolarHBondContact O-N 2.91Å
586C75.3Confident72.2Confident57 Ų57113.3 Ų113.339%0.38562%0.62SS.*PPolyproline II helixtrans-52.7135.2-178.2-74.80000110G584 E590 I591G584-C586 PolarHBondContact O-N 3Å; G584-C586 VanDerWaalsContact O-N 3.07Å; C586-E590 HydrophobicContact CB-CB 4.48Å; C586-E590 WeakPolarHBondContact CB-OE2 3.3Å; C586-E590 PolarHBondContact SG-OE2 3.21Å; C586-I591 HydrophobicContact CB-CD1 4.18Å; C586-I591 HydrophobicContact CB-CG1 3.8Å
587S88.4Confident74.6Confident68 Ų68111.1 Ų111.148%0.47660%0.602SS.*PPolyproline II helixtrans-59148.6172.7-179.30000109.7K585 E589 E590 I591K585-S587 PolarHBondContact O-N 2.91Å; S587-E589 PolarHBondContact O-N 3.49Å; S587-E589 PolarHBondContact OG-N 2.71Å; S587-E590 WeakPolarHBondContact O-CA 3.14Å; S587-E590 WeakPolarHBondContact O-CB 3.22Å; S587-E590 PolarHBondContact O-N 3.27Å; S587-I591 WeakPolarHBondContact O-CG1 3.47Å; S587-I591 PolarHBondContact O-N 3.49Å
588A89.1Confident77.2Confident80 Ų80105 Ų10566%0.66159%0.586SS**Hα-helixtrans-54.2-37.6174.300000111.5E590 I591 E592A588-E590 PolarHBondContact O-N 3.05Å; A588-I591 PolarHBondContact O-N 3.31Å; A588-E592 PolarHBondContact O-N 3.15Å
589E89.8Confident79.9Confident158 Ų158103 Ų10374%0.73857%0.571SS**Hα-helixtrans-60.5-41.4172.8-173.3-172.2-179.200112.6S587 I591 R593S587-E589 PolarHBondContact O-N 3.49Å; S587-E589 PolarHBondContact OG-N 2.71Å; E589-I591 VanDerWaalsContact C-N 3.35Å; E589-R593 VanDerWaalsContact O-CB 3.25Å; E589-R593 WeakPolarHBondContact O-CB 3.37Å; E589-R593 PolarHBondContact O-N 3.48Å
590E92.4Very high82.4Confident70 Ų70100.1 Ų100.133%0.32756%0.559SS.*Hα-helixtrans-71-33177.9-157.1-158.3166.300111.7C586 S587 A588 K594C586-E590 HydrophobicContact CB-CB 4.48Å; C586-E590 WeakPolarHBondContact CB-OE2 3.3Å; C586-E590 PolarHBondContact SG-OE2 3.21Å; S587-E590 WeakPolarHBondContact O-CA 3.14Å; S587-E590 WeakPolarHBondContact O-CB 3.22Å; S587-E590 PolarHBondContact O-N 3.27Å; A588-E590 PolarHBondContact O-N 3.05Å; E590-K594 WeakPolarHBondContact O-CB 3.28Å; E590-K594 VanDerWaalsContact O-CG 3.28Å; E590-K594 WeakPolarHBondContact O-CG 3.4Å; E590-K594 PolarHBondContact O-N 2.82Å; E590-K594 WeakPolarHBondContact OE1-CE 3.32Å; E590-K594 IonicContact OE1-NZ 2.72Å; E590-K594 PolarHBondContact OE1-NZ 3.03Å; E590-K594 IonicContact OE2-NZ 2.69Å
591I93.5Very high84.9Confident98 Ų98101.6 Ų101.650%0.50355%0.548SS..Hα-helixtrans-67.6-48.2175.2-65169.2000109.8C586 S587 A588 E589 K594 K595C586-I591 HydrophobicContact CB-CD1 4.18Å; C586-I591 HydrophobicContact CB-CG1 3.8Å; S587-I591 WeakPolarHBondContact O-CG1 3.47Å; S587-I591 PolarHBondContact O-N 3.49Å; A588-I591 PolarHBondContact O-N 3.31Å; E589-I591 VanDerWaalsContact C-N 3.35Å; I591-K594 PolarHBondContact O-N 3.06Å; I591-K595 WeakPolarHBondContact O-CB 3.43Å; I591-K595 PolarHBondContact O-N 2.98Å
592E95.6Very high87.2Confident71 Ų71101 Ų10133%0.33254%0.541SS..Hα-helixtrans-64.5-41.9177.5-172.154.7-138.200111.4A588 K594 K595 Q596A588-E592 PolarHBondContact O-N 3.15Å; E592-K594 VanDerWaalsContact C-N 3.32Å; E592-K594 PolarHBondContact O-N 2.81Å; E592-K595 WeakPolarHBondContact O-CB 3.46Å; E592-K595 PolarHBondContact O-N 2.97Å; E592-K595 VanDerWaalsContact O-N 3.13Å; E592-K595 IonicContact OE1-NZ 2.69Å; E592-K595 PolarHBondContact OE1-NZ 2.76Å; E592-K595 WeakPolarHBondContact OE2-CD 3.43Å; E592-K595 IonicContact OE2-NZ 2.66Å; E592-K595 PolarHBondContact OE2-NZ 3.06Å; E592-Q596 WeakPolarHBondContact O-CG 3.42Å; E592-Q596 PolarHBondContact O-N 2.93Å
593R95.9Very high89.4Confident126 Ų126103.7 Ų103.748%0.47554%0.536SS..Hα-helixtrans-57.8-42.9173.3-165.4-168.266.766.22111.9E589 Q596 E597E589-R593 VanDerWaalsContact O-CB 3.25Å; E589-R593 WeakPolarHBondContact O-CB 3.37Å; E589-R593 PolarHBondContact O-N 3.48Å; R593-Q596 PolarHBondContact O-N 3.42Å; R593-E597 IonicContact CZ-OE2 2.83Å; R593-E597 IonicContact NH1-OE2 2.66Å; R593-E597 PolarHBondContact NH1-OE2 3.38Å; R593-E597 IonicContact NH2-OE2 2.65Å; R593-E597 VanDerWaalsContact O-CB 3.32Å; R593-E597 WeakPolarHBondContact O-CB 3.45Å; R593-E597 PolarHBondContact O-N 3.09Å
594K96.3Very high91Very high87 Ų87103.4 Ų103.438%0.37852%0.52SS..Hα-helixtrans-67.7-36.1175.6-77171.4-175.3165.20112.5E590 I591 E592 E597 A598E590-K594 WeakPolarHBondContact O-CB 3.28Å; E590-K594 VanDerWaalsContact O-CG 3.28Å; E590-K594 WeakPolarHBondContact O-CG 3.4Å; E590-K594 PolarHBondContact O-N 2.82Å; E590-K594 WeakPolarHBondContact OE1-CE 3.32Å; E590-K594 IonicContact OE1-NZ 2.72Å; E590-K594 PolarHBondContact OE1-NZ 3.03Å; E590-K594 IonicContact OE2-NZ 2.69Å; I591-K594 PolarHBondContact O-N 3.06Å; E592-K594 VanDerWaalsContact C-N 3.32Å; E592-K594 PolarHBondContact O-N 2.81Å; K594-E597 PolarHBondContact O-N 3.34Å; K594-A598 WeakPolarHBondContact O-CB 3.48Å; K594-A598 PolarHBondContact O-N 3.18Å
595K97.8Very high92.4Very high110 Ų110109.4 Ų109.448%0.47852%0.523SS..Hα-helixtrans-62.9-46173.6163.5167.5161-930111.5I591 E592 A598 L599I591-K595 WeakPolarHBondContact O-CB 3.43Å; I591-K595 PolarHBondContact O-N 2.98Å; E592-K595 WeakPolarHBondContact O-CB 3.46Å; E592-K595 PolarHBondContact O-N 2.97Å; E592-K595 VanDerWaalsContact O-N 3.13Å; E592-K595 IonicContact OE1-NZ 2.69Å; E592-K595 PolarHBondContact OE1-NZ 2.76Å; E592-K595 WeakPolarHBondContact OE2-CD 3.43Å; E592-K595 IonicContact OE2-NZ 2.66Å; E592-K595 PolarHBondContact OE2-NZ 3.06Å; K595-A598 PolarHBondContact O-N 3.45Å; K595-L599 HydrophobicContact CG-CD1 4.3Å; K595-L599 WeakPolarHBondContact O-CG 3.04Å; K595-L599 PolarHBondContact O-N 3.45Å
596Q97.6Very high93Very high118 Ų118104.9 Ų104.955%0.55151%0.507SS*.Hα-helixtrans-63.9-43.8173.7-67.1178.37.600112.1E592 R593 A598 L599 A600E592-Q596 WeakPolarHBondContact O-CG 3.42Å; E592-Q596 PolarHBondContact O-N 2.93Å; R593-Q596 PolarHBondContact O-N 3.42Å; Q596-A598 VanDerWaalsContact C-N 3.31Å; Q596-A598 PolarHBondContact O-N 3.44Å; Q596-L599 PolarHBondContact O-N 3.38Å; Q596-A600 WeakPolarHBondContact O-CB 3.25Å; Q596-A600 PolarHBondContact O-N 3.46Å
597E96.1Very high93.4Very high65 Ų65108 Ų10830%0.30452%0.516SS..Hα-helixtrans-60-39.1175.8-164.8-173.813400111.9R593 K594 R601R593-E597 IonicContact CZ-OE2 2.83Å; R593-E597 IonicContact NH1-OE2 2.66Å; R593-E597 PolarHBondContact NH1-OE2 3.38Å; R593-E597 IonicContact NH2-OE2 2.65Å; R593-E597 VanDerWaalsContact O-CB 3.32Å; R593-E597 WeakPolarHBondContact O-CB 3.45Å; R593-E597 PolarHBondContact O-N 3.09Å; K594-E597 PolarHBondContact O-N 3.34Å; E597-R601 WeakPolarHBondContact O-CG 3.49Å; E597-R601 PolarHBondContact O-N 3.09Å; E597-R601 IonicContact OE1-CZ 3.49Å; E597-R601 IonicContact OE1-NH1 3.11Å; E597-R601 PolarHBondContact OE1-NH1 3.09Å; E597-R601 IonicContact OE1-NH2 3.33Å; E597-R601 PolarHBondContact OE1-NH2 3.4Å
598A96.8Very high92.8Very high56 Ų56108.8 Ų108.846%0.46352%0.515SS..Hα-helixtrans-69.2-41.9175.100000112.8K594 K595 Q596 R601 R602K594-A598 WeakPolarHBondContact O-CB 3.48Å; K594-A598 PolarHBondContact O-N 3.18Å; K595-A598 PolarHBondContact O-N 3.45Å; Q596-A598 VanDerWaalsContact C-N 3.31Å; Q596-A598 PolarHBondContact O-N 3.44Å; A598-R601 PolarHBondContact O-N 3.4Å; A598-R602 PolarHBondContact O-N 3.48Å
599L96.6Very high91.9Very high81 Ų81109.2 Ų109.242%0.42451%0.513SS..Hα-helixtrans-63.5-41.5175.1-76167.5000111.9K595 Q596 R602 R603K595-L599 HydrophobicContact CG-CD1 4.3Å; K595-L599 WeakPolarHBondContact O-CG 3.04Å; K595-L599 PolarHBondContact O-N 3.45Å; Q596-L599 PolarHBondContact O-N 3.38Å; L599-R602 PolarHBondContact O-N 3.28Å; L599-R603 WeakPolarHBondContact O-CG 3.48Å; L599-R603 PolarHBondContact O-N 3.24Å
600A94.6Very high90.6Very high58 Ų58106 Ų10648%0.47951%0.507SS..Hα-helixtrans-61.4-44.8173.600000111.7Q596 R602 R603 L604Q596-A600 WeakPolarHBondContact O-CB 3.25Å; Q596-A600 PolarHBondContact O-N 3.46Å; A600-R602 VanDerWaalsContact C-N 3.34Å; A600-R602 PolarHBondContact O-N 3.48Å; A600-R603 PolarHBondContact O-N 3.44Å; A600-L604 WeakPolarHBondContact O-CB 3.38Å; A600-L604 PolarHBondContact O-N 3.17Å
601R96.2Very high88.9Confident137 Ų137109 Ų10952%0.51752%0.519SS..Hα-helixtrans-61.1-38.5173.2-76.4-173.8-178.8110.910.6112.7E597 A598 R605E597-R601 WeakPolarHBondContact O-CG 3.49Å; E597-R601 PolarHBondContact O-N 3.09Å; E597-R601 IonicContact OE1-CZ 3.49Å; E597-R601 IonicContact OE1-NH1 3.11Å; E597-R601 PolarHBondContact OE1-NH1 3.09Å; E597-R601 IonicContact OE1-NH2 3.33Å; E597-R601 PolarHBondContact OE1-NH2 3.4Å; A598-R601 PolarHBondContact O-N 3.4Å; R601-R605 WeakPolarHBondContact O-CG 3.42Å; R601-R605 PolarHBondContact O-N 3.26Å
602R96.7Very high87.1Confident177 Ų177114.1 Ų114.167%0.66856%0.559SS**Hα-helixtrans-63.2-49175-174-178.4176.3-157.4-1.7111A598 L599 A600 L604 R605 M606A598-R602 PolarHBondContact O-N 3.48Å; L599-R602 PolarHBondContact O-N 3.28Å; A600-R602 VanDerWaalsContact C-N 3.34Å; A600-R602 PolarHBondContact O-N 3.48Å; R602-L604 PolarHBondContact O-N 3.42Å; R602-R605 PolarHBondContact O-N 3.37Å; R602-M606 WeakPolarHBondContact O-CG 3.49Å; R602-M606 PolarHBondContact O-N 3.36Å
603R95.8Very high86.6Confident185 Ų185116.3 Ų116.370%0.69857%0.57SS**Hα-helixtrans-57.4-45.6176.8-72.5175.8175.4173.8-2.3111.7L599 A600 R605 M606 Q607L599-R603 WeakPolarHBondContact O-CG 3.48Å; L599-R603 PolarHBondContact O-N 3.24Å; A600-R603 PolarHBondContact O-N 3.44Å; R603-R605 PolarHBondContact O-N 3.4Å; R603-M606 PolarHBondContact O-N 3.34Å; R603-Q607 PolarHBondContact O-N 3.32Å
604L91.9Very high86.1Confident96 Ų96115.7 Ų115.750%0.50358%0.575SS.*Hα-helixtrans-63.9-37.5177.2-178.961.5000113.2A600 R602 N608A600-L604 WeakPolarHBondContact O-CB 3.38Å; A600-L604 PolarHBondContact O-N 3.17Å; R602-L604 PolarHBondContact O-N 3.42Å; L604-N608 PolarHBondContact O-N 3.37Å; L604-N608 PolarHBondContact O-ND2 3.17Å
605R91.5Very high85.6Confident189 Ų189117.3 Ų117.371%0.71359%0.586SS**Hα-helixtrans-62.5-48.5173.1-76.6175.3178.8-179.7-1.9110.9R601 R602 R603 Q607 N608 S609R601-R605 WeakPolarHBondContact O-CG 3.42Å; R601-R605 PolarHBondContact O-N 3.26Å; R602-R605 PolarHBondContact O-N 3.37Å; R603-R605 PolarHBondContact O-N 3.4Å; R605-Q607 VanDerWaalsContact C-N 3.34Å; R605-Q607 PolarHBondContact O-N 3.4Å; R605-N608 PolarHBondContact O-N 3.25Å; R605-S609 PolarHBondContact O-N 3.44Å; R605-S609 PolarHBondContact O-OG 3.13Å
606M84.8Confident84.9Confident115 Ų115117.8 Ų117.857%0.56759%0.593SS**Hα-helixtrans-57.9-43.9178.5-64-55.3-59.400112.4R602 R603 N608 S609 S610R602-M606 WeakPolarHBondContact O-CG 3.49Å; R602-M606 PolarHBondContact O-N 3.36Å; R603-M606 PolarHBondContact O-N 3.34Å; M606-N608 PolarHBondContact O-N 2.78Å; M606-S609 WeakPolarHBondContact CA-OG 3.45Å; M606-S609 PolarHBondContact O-N 3.23Å; M606-S609 PolarHBondContact O-OG 2.66Å; M606-S610 PolarHBondContact O-N 3.45Å; M606-S610 VanDerWaalsContact O-N 3.12Å; M606-S610 PolarHBondContact O-OG 3.35Å
607Q84Confident84.1Confident124 Ų124117.8 Ų117.858%0.57960%0.595SS**Hα-helixtrans-68.8-15.8177.2-73.6-178-19.300114.7R603 R605 S610 K611R603-Q607 PolarHBondContact O-N 3.32Å; R605-Q607 VanDerWaalsContact C-N 3.34Å; R605-Q607 PolarHBondContact O-N 3.4Å; Q607-S610 PolarHBondContact O-OG 2.83Å; Q607-K611 VanDerWaalsContact O-CE 3.32Å; Q607-K611 WeakPolarHBondContact O-CE 3.49Å
608N76.7Confident83.3Confident84 Ų84121.3 Ų121.345%0.44962%0.615SS.*Hα-helixtrans-97.5-25.9174.8-73.9-31.1000112.3L604 R605 M606 S610 K611L604-N608 PolarHBondContact O-N 3.37Å; L604-N608 PolarHBondContact O-ND2 3.17Å; R605-N608 PolarHBondContact O-N 3.25Å; M606-N608 PolarHBondContact O-N 2.78Å; N608-S610 VanDerWaalsContact C-N 3.28Å; N608-K611 PolarHBondContact OD1-NZ 3.23Å
609S69.8Low82.3Confident88 Ų88125.9 Ų125.962%0.61563%0.625SS**Hα-helixtrans-76.9-11.3167.251.30000113.9R605 M606R605-S609 PolarHBondContact O-N 3.44Å; R605-S609 PolarHBondContact O-OG 3.13Å; M606-S609 WeakPolarHBondContact CA-OG 3.45Å; M606-S609 PolarHBondContact O-N 3.23Å; M606-S609 PolarHBondContact O-OG 2.66Å
610S62.3Low81.2Confident90 Ų90129.4 Ų129.463%0.62964%0.641SS**THydrogen-bonded Turntrans-97.425.817672.40000113.3M606 Q607 N608M606-S610 PolarHBondContact O-N 3.45Å; M606-S610 VanDerWaalsContact O-N 3.12Å; M606-S610 PolarHBondContact O-OG 3.35Å; Q607-S610 PolarHBondContact O-OG 2.83Å; N608-S610 VanDerWaalsContact C-N 3.28Å
611K56.1Low80.1Confident134 Ų134135.3 Ų135.358%0.58365%0.654SS**  trans-114.7129.6172.6-69.5168.5-174.1162.60107.7Q607 N608Q607-K611 VanDerWaalsContact O-CE 3.32Å; Q607-K611 WeakPolarHBondContact O-CE 3.49Å; N608-K611 PolarHBondContact OD1-NZ 3.23Å
612P55.4Low78.6Confident205 Ų205135.2 Ų135.2100%1.33167%0.667SS**  trans-72.60-179.532.9-36.4000112.5

Retrieved 612 of 612 residues in 147.4 ms (Link to these results)